metabolite_name CMH203 CMH207 CMH211 CMH213 CMH214 CMH218 CMH227 CMH234 CMH249 CMH258 CMH259 CMH260 CMH268 CMH283 CMH284 CMH289 CMH290 CMH298 CMH307 CMH316 CMH318 CMH320 CMH326 CMH4 CMH432 CMH551 CMH70779 CMH70915 CMH70921 CMH70943 CMH71002 CMH71008 CMH71032 CMH71058 CMH71065 CMH71187 CMH71294 CMH71414 CMH71512 CMH71514 CMH71839 CMH866 CMH8901 CMH8909 CMH8912 CMH8924 CMH9005 CMH9028 CMH99377 1,2-dilinoleoyl-GPC (18:2/18:2) 42145792 42177812 51128484 40850984 11746383 27405586 34751776 7303459 4153391 229172112 72139352 6464553 47210940 12454693 101380176 13361650 8749576 18186364 21783610 41492400 13903560 105758712 60294392 27415256 32890396 4331397 48849732 74446776 33272468 55905660 21508092 54160640 58807964 87085384 73328592 64337604 96561920 23080986 42402668 72262144 63675276 38888604 56395444 17273236 61296872 102797680 57999664 96508752 98185112 1,2-dioleoyl-GPC (18:1/18:1)* 76067144 99262600 61554980 92670216 97649848 59413032 56618396 94237496 27832464 57539120 76157568 52437060 134272368 88814544 57071860 55247528 39066596 146922816 76276272 69275640 112754376 234182480 85687280 94809104 57391904 114855064 119073072 62277908 59919148 147619824 67648280 98145432 106796192 107085832 107862064 96771920 86261248 70506808 82158008 150172064 80846160 129032984 100129504 89320560 98237200 113785512 88288200 93549272 198384224 1,2-dioleoyl-GPE (18:1/18:1) 21024658 21908006 20654252 25244386 12605269 12939025 14806793 21520448 5192478 17075498 21138598 12623937 51910408 10431122 19965482 8286468 11997848 29863014 14618359 38520476 21499506 48216508 17866130 43915280 7452548 18945752 52300612 19341584 20771758 58876200 21146894 34541268 35857968 52596508 39914636 39211412 24169246 29202530 22468398 57581428 35409756 55537696 28969278 23164972 19928798 33222534 33509380 26819108 110840624 1,2-dioleoyl-GPG (18:1/18:1) 2008656 2255827 2234774 12596411 875814 440539 1830483 32952 1070454 2584185 371345 3244629 508745 1961219 625226 1556886 1151698 793503 2099842 583229 686548 3042548 994723 2774767 525810 3169048 2488475 1042541 1464051 2559328 3648104 6211855 3230247 6837276 1641677 2806938 896661 2909207 1849010 1809182 5067628 1509502 2911383 5876603 2122579 3399560 2298264 1523415 1,2-dipalmitoyl-GPC (16:0/16:0) 176388736 189548704 190271872 171186352 230249088 368937088 224838336 839722368 285562624 158620288 145626016 262982320 207024224 337890560 216486880 325401984 337125856 399974432 369162112 118372144 320039424 311014784 195198736 155783328 252905600 322803552 127563712 137163344 95708656 105525408 94805640 102157944 166057024 126869768 116580816 171431696 164942912 87265040 151717408 110160128 118884504 172361360 126626688 92896952 109974272 220294000 141497040 138709008 109806008 1,5-anhydroglucitol (1,5-AG) 10715723 14106538 14147984 3559538 1732561 1820068 890546 2045458 2913970 1404617 1470935 1416825 449143 478036 4394171 3493129 2302886 2258778 7633793 1536300 1327967 778015 619237 1200551 1588878 441664 579780 138359 233456 1592369 773243 920244 723175 893164 295818 1001647 728852 2304705 877784 1447121 493246 1146392 1268007 1627724 1-(1-enyl-oleoyl)-GPE (P-18:1)* 147694 2950439 716810 2951461 2032791 74151 78042 77741 654782 8945866 178078 185853 252503 131875 240470 101107 822470 429200 211613 377489 237288 114581 153561 185595 106113 128643 156309 192940 412792 498692 312795 387193 384866 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 9943583 9351700 7157458 7575110 6753533 14096203 7283606 88672816 24349144 8830395 2634911 23181106 20929848 11957303 12745040 15281477 13625483 17216972 8199854 8376434 8994786 19787706 6786544 10871214 13319536 26417100 7330156 5035913 1979893 2966272 4088423 4049025 4135935 8663309 7929272 2997555 5144442 1695215 6460165 7127651 4877117 7674666 5571642 2833803 6825946 4417123 5219337 4219519 1698766 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 30626378 33775972 35738644 43814144 39192504 63930784 36627532 142750432 39932136 27826618 31452712 49611872 53434704 64317624 43898016 43641528 55017292 53509704 56506556 34192524 41414676 44499960 44860008 35805460 37692704 63045748 29707456 23545820 10063896 15981143 18191780 16966986 25913240 31476942 27778348 22658164 26644672 12228822 33143076 29813304 31885978 38720148 30017148 15212986 26435584 33862900 22600522 23183802 18253824 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 1769620 1546199 1799623 3932450 1963110 2761293 695580 4563344 1694636 3260268 189698 1411322 172453 4841042 1187812 265832 251421 353629 640112 965393 502288 592684 604358 707877 1143400 183103 1906396 862327 453041 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 1493196 1693136 1454602 2767897 477283 2208638 1525993 3102065 1182039 2839052 2193139 1054204 1980777 1336282 4079326 632425 1329505 691010 1186460 1569903 606105 696325 2472447 2063783 6675661 546766 1239929 1319674 595900 1616272 825652 685438 715205 1255052 1685822 1316602 1646605 649382 1616488 815354 1974329 1267197 1640410 811115 1323758 2857345 1528913 1297267 1106425 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 4944032 4948266 3776277 5051320 2950905 5698670 3701168 29280244 5361169 4006229 1941590 6166943 8213352 5737780 6100778 4943988 4817155 8234114 3502217 2736310 2984664 5182895 3842066 3834901 3136484 7274558 3118208 1720504 621745 3455885 1156807 556416 1918946 3113834 3720082 1212224 1769386 792268 1355069 1964907 1704517 3004451 1699504 1141764 1816416 2420312 2496476 1977489 1075763 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 9242049 9890526 8835363 15585454 7660224 16958604 10718127 53361464 11392490 9579654 11859919 12749560 10779535 17688188 12139003 6321988 11126147 10297154 13736732 8441201 9541247 7627840 15397273 8502670 13365441 5433642 5960352 5933947 2217657 6307013 3738094 2669652 5468126 7126373 8173995 5062244 6358055 3609028 5774793 6224572 7675836 8004254 6426352 4047162 4414761 10157006 4536712 4423154 5511505 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 424237 341274 146589 538898 870326 8395608 1040740 363773 1161376 948801 625479 386976 953753 1255317 2071417 710138 87970 672186 666605 149629 452450 789516 1250731 208306 192132 215255 190081 186913 163619 201965 204802 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 10498142 11170146 9063953 11762296 10904459 21137678 9686255 108840728 9106972 8823451 4319585 18292860 18201664 11883767 15663904 17113828 15359142 26918354 11568483 7835155 9482946 15768838 8199042 9365041 9159680 27142716 9704491 4083107 1750151 5259953 3533858 2218529 6601866 10359850 10648815 4633362 7254632 1506020 5108971 10676968 4886128 9457113 7083480 3250391 5635802 6616336 8160297 9044819 2725647 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 332528 159552 391032 430305 303429 796249 146638 5454555 2237454 209600 377850 122626 3326092 6120031 283785 315738 142366 172354 369108 214902 357439 362518 207295 191455 4357289 368945 165793 188675 135793 148484 693559 1476434 161030 785388 328020 182920 207508 287680 206882 303924 81455 190065 385117 1222026 397192 376718 190452 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 43965584 48253144 35071772 37901856 23907436 52301892 19511868 113318376 42277048 31606696 15793685 42135976 65589148 54271896 40164364 33599244 38653712 51428960 40071420 44885704 29297028 37614424 25305074 49278012 37091064 71780912 55582584 52800112 20450772 25139500 33298410 38468480 35526328 56698328 47171840 31365734 35977792 20434214 57462288 45053472 37526336 52787064 50276324 25881178 49738876 47330736 42830708 32356762 32477016 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 3640901 4247059 4048597 611958 3338348 1172607 1975050 7450156 1633487 10017081 1829838 6771342 1019295 1662395 1853943 3847800 1015176 9254572 12402482 1762190 8211097 6918038 3612402 8074169 4654789 5317996 4701011 9155167 10273732 5757048 6441760 4702032 6849693 3276487 6109348 6036981 6996699 4594264 6292890 11057393 6831115 6052238 7301938 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 6085279 7931653 4432904 7624442 3112187 6925009 3492216 14367185 5251337 5340237 4272472 5187285 8516346 8334848 6496183 3283712 4774785 6379464 6592242 6508289 3898954 3535268 5828916 6200015 7319826 3765925 6104359 5032566 2688882 5137052 3515013 3743489 4021147 5701572 6183615 3531352 4036596 3038172 6099744 4550098 3695935 4677902 5151029 3785154 5169210 7032749 5041127 3761531 5423305 1-(1-enyl-stearoyl)-GPE (P-18:0)* 593520 247596 402505 562203 746604 66154 4428472 1798574 284952 198969 107441 4593939 7911761 327770 121568 206623 138858 561251 91606 294515 102656 376832 6910165 429364 415998 446904 207714 159459 1548581 1437664 346758 1358323 366576 299196 122732 507823 437084 116889 434665 319803 264246 557461 1299089 747597 576855 245106 1-arachidonoyl-GPC (20:4n6)* 12597445 10703279 4543500 10062846 767706 7171211 6888120 1702026 831692 6495860 4825464 473070 4296507 8518353 9216488 4629718 4197105 12496034 7768469 1953630 33519958 3805810 6933725 235660 16588441 1984351 3438298 74743 117248 1436521 6277162 3365771 8386533 2166365 10140777 190113 1234658 660224 2615451 2715922 993353 2081819 3473105 967777 17021244 279385 1-arachidonoyl-GPE (20:4n6)* 17431458 13841929 8042886 10854478 5709385 10381280 8472780 1016260 7986292 6710696 1101472 4319179 8917833 19418946 5019719 6670967 10330186 6538676 30574972 5420299 8773584 773108 9874926 5106325 4485497 823626 962593 1747276 12210476 7190139 7401884 4380343 11802832 1672212 2346049 2063840 3428660 5309942 3317391 3181703 4093540 7513988 12985152 1721525 1-arachidonoyl-GPI (20:4)* 17710886 16196502 9149949 19773928 7879621 13105502 7001477 802937 240554 6506053 14084743 829366 5501569 10868745 17283384 13872032 4731913 3677996 10455407 7731583 5351636 10284495 11120345 6875283 1413644 7445349 17492110 8317620 2637633 1086121 9105642 3241166 22174656 13645876 32477048 8969316 16222027 2406095 5751073 10988072 7747114 21997196 9266268 5126223 12114673 22978394 7352764 17083156 3854376 1-arachidonylglycerol (20:4) 7285373 3016176 2628768 3169985 773665 12959895 1772790 990158 3690774 1153603 1083317 4927260 10894077 1483921 9055773 1377178 3749689 1569849 3728256 10121092 1820899 809911 8602467 846187 1821426 996922 2596761 2419157 460640 5835967 1440122 942725 649508 788372 392149 818111 2101444 1936640 316439 1069234 2947206 810549 874588 1-dihomo-linolenylglycerol (20:3) 3611973 1618698 974168 1782431 672440 6868914 1147877 96083 1091132 1872418 1466165 545074 2313520 1939137 867638 3319444 1068502 669274 2354986 919544 1966935 4032805 914592 243369 1562386 434627 910024 506255 470165 619084 437728 3173484 693130 878610 440907 634318 328697 516735 516121 918748 342640 792937 2176837 419666 661254 1-dihomo-linoleoylglycerol (20:2) 792636 222298 84373 1552965 345970 167275 805096 1134930 451281 552211 278849 179678 269332 493250 1053540 172636 252327 1342998 338745 322734 165127 205329 205194 178489 763055 283554 517531 267309 181481 226245 397165 107737 789448 404096 589567 1-docosahexaenoylglycerol (22:6) 3215190 1602518 2046681 1759827 368702 7952035 1891042 466217 1058252 538997 401957 3088607 10202126 479247 5900168 1533181 945468 2465289 1044509 2034538 4574950 808435 451117 10626552 663426 938363 537055 284922 577496 160395 2325966 785542 450834 141386 324325 117335 373844 459493 1375633 134276 490278 583601 528251 414297 1-linolenoylglycerol (18:3) 2696821 1767818 2325533 1374979 3134923 2353148 2297336 2182931 1196717 610937 2900802 505212 670229 1865323 682593 8430373 1224753 1162228 631488 1960384 555689 2348798 375861 3816887 567596 4406813 1229489 2145883 805179 241035 592718 1236821 1492760 798914 1325124 5651496 1392413 1674924 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 24765586 28131344 35899184 38607416 14361633 30075156 22704570 11544481 3413781 55691148 45627628 9002120 22703780 7863578 61723752 21344488 15677499 24291280 25306442 19503644 16521647 68774488 51539596 11061265 12174369 10200499 20794108 29830448 10436754 10928657 11235681 17978478 22121328 31577488 28100978 16203959 36053408 9775120 17495272 31922008 17874320 21589848 27842530 6008715 21877232 14619528 20806654 30613492 15726166 1-linoleoyl-GPC (18:2) 22966362 20468524 10540828 19054336 2138342 8599739 14305682 1729059 513069 32698406 11074482 542021 14631565 14946428 17363236 5641505 3034653 5229626 13196878 18343252 3466996 49163564 8747739 31789600 3742575 10512694 8113782 13696816 1396494 5746808 3160626 31283112 13131955 25881664 13410132 61213248 1254126 4516346 3036099 3481149 9314696 10627589 3619115 11743288 22923380 4388441 72131896 2848026 1-linoleoyl-GPE (18:2)* 36382656 14572498 12233586 16838420 4198514 8678841 8312930 422502 214507 18549920 16120068 314914 10942578 7589986 29193004 5418314 2163214 2314430 6061018 9931831 4264277 19998926 9016569 4507108 2270199 4594105 8640506 921793 1401964 5624876 8413821 25768644 6756642 21711464 9894090 24141240 1633033 3590877 3648325 3688200 4049194 6105543 4449209 8648932 19909930 6752644 24928394 3363486 1-linoleoyl-GPI (18:2)* 3042584 2845831 2698447 7765958 957706 1257904 1360348 4457100 2413910 1494451 4294290 573443 659606 2775497 244289 3527461 2603911 2901472 1061102 3547142 2712883 913861 582639 2030137 1044007 9231728 2723770 8623943 4470742 6448418 876731 2341256 2535252 3673680 4344254 2414196 2420895 3787739 9196672 2359770 5042703 1265078 1-linoleoyl-GPS (18:2)* 2945295 1646055 2038889 5085621 385436 774962 3303338 2283098 4539289 3389736 416134 758882 1756799 2077024 702498 183419 2536656 737347 1707360 2542130 1332629 1270393 1-linoleoylglycerol (18:2) 75757096 42597424 45340528 48617076 8669446 119647608 34161704 2244781 7143231 123833904 8651105 25418120 63187452 41299136 13080110 73183104 8889035 4674970 41897800 18886696 27825912 204055968 17214780 9125678 16052805 39350508 25520864 76568888 26206416 16778946 24067308 97767464 20691048 168938672 68170344 58009416 20802442 18432374 4055943 26596008 42599056 54876272 17383980 43144932 143487376 107600696 43188008 1-methylguanidine 142177 231917 291290 175109 472657 106104 260129 151348 75948 1559373 284975 178185 364706 72604 289457 250293 132167 643125 68157 298415 197527 141758 1340019 84532 122666 69430 98597 301169 157581 246958 111913 305593 214300 272488 735303 526206 903716 465542 174187 372173 251195 225913 383248 323100 1-methylhistamine 3844078 6376821 5994704 387025 18906464 17636398 4303797 8248615 853266 11004988 1563621 8627071 10626600 1657624 292711 5091680 16026467 10556420 11698584 5157547 37553580 1348176 6023609 17871352 7286933 14280692 932918 4638269 1606300 7091075 3794282 4130125 16230769 3160602 801366 194991 1934321 3588209 2749112 443403 2524468 8409985 25401704 3180252 60895628 7568146 254637 9432282 1-methylhistidine 27170508 31422964 25272196 19746506 65812756 28267210 18908176 60654088 31650014 105053152 29454598 19757512 99958264 39006036 30634794 46214924 33937996 38470640 34633888 81946120 37120068 60393204 19757898 39518428 66972428 57453580 109062728 25701524 10122761 30246238 28413900 14440753 47891324 161853408 73630104 38654440 12368210 5546223 21607096 92973104 5788141 41074096 21331012 35654144 64096644 62335952 27033276 59170484 34310452 1-methylimidazoleacetate 3122200 3506554 5176313 2116737 28538194 4175588 4959404 5100123 4257212 85126784 6408782 11579480 57435872 5759648 15558264 8855712 2886678 14849603 3596031 46263760 20079378 17543876 8499041 14668599 12647131 34346488 15638614 669323 2560534 2019004 1915366 2461329 3287411 13280356 2433388 582374 4268428 1961224 17165280 11401056 5428633 14803828 4337130 5514832 1943344 6770714 4565642 21320212 4566782 1-methylnicotimide 27093964 27716848 27941000 60736760 101586544 10810651 35011412 85202984 74086648 384913472 79503200 134044264 118001776 123225080 148956304 15048527 38563904 222049232 45464588 33392488 29819866 162328432 74358496 102905904 17322060 445076544 48917512 81999896 99156384 158565088 104163624 182275632 58147736 52343888 44670296 203658720 41270256 68584672 23783056 30540326 19552672 30321986 43678992 78514416 80143776 122706992 85879184 73293472 67891712 1-methylxanthine 283592 285830 311920 334852 2852921 291785 1091793 72992 277262 549533 362627 1331710 1308367 1-myristoylglycerol (14:0) 20904072 12103409 9814356 10646038 2265720 22728248 14823231 7101808 2036949 3552204 2586016 1543088 19955988 10683804 2758862 13484304 5834628 2594702 9636799 3963471 7733734 10961706 4792895 4522951 3396851 19019160 4099927 11283254 1882808 5980416 3154914 3229728 20085588 3778962 16449935 5667654 9620491 8044988 3655242 2063540 2616343 6954042 4903979 5790191 6244837 18732480 17790528 15128874 2088312 1-oleoyl-2-linoleoyl-glycerol (18:1/18:2) 50870424 52419756 43700316 14723896 1734912 16422663 22232052 915873 2590284 22123584 5849047 4453072 31892510 16230945 3118727 16867632 1562146 4904144 8852144 20608848 3673225 66125692 3157785 162396112 89932008 16545499 52575704 49103288 6997193 25829944 16118979 57248812 123649776 64930804 72246192 68924936 54150116 73891256 27395156 14195141 57565128 136265248 24173888 25451692 27288474 93420296 35686584 37402112 18189132 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 152149424 163616896 150358480 179470784 73533832 98752944 131074176 52230584 21985956 310597024 149476496 55865516 173166880 81058464 244722480 68388832 77847928 130821616 94582328 136411312 93188048 342356928 167691024 135860992 145077024 72729344 160808640 137168624 193297056 264227216 85500888 235212240 188889952 207519904 161397280 206739408 174282368 135318000 123559144 252626848 188608192 232425936 276010848 100507432 231315072 144275568 150979152 250964224 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 57956300 66389288 62654028 88130776 35999264 30562940 41282696 8500318 3116605 125183120 64416616 18746838 66834744 7513237 109485456 16545541 18780176 47636432 23109346 72138888 30774548 140283872 75973888 114512864 9336794 18271142 162377840 132726184 103604728 167683440 85757472 130164960 105651640 182257056 120579384 213989440 121379072 141899072 89083736 129402928 126866912 118129328 157536080 71297680 153548352 129631656 158471072 97587168 188683088 1-oleoyl-3-linoleoyl-glycerol (18:1/18:2) 448094752 499060448 489552320 202193904 32344428 253047968 265211792 10293224 15260519 209601888 115053960 60000832 289021792 124341968 47607616 239310400 35159680 73636072 131819424 263893088 62429696 599851392 48362852 878062208 235354848 149612752 464412128 567175616 79024624 242507808 242049536 399409728 877091328 648725248 876555648 722738368 684510592 542906944 259392800 230962320 442424000 715946496 375014592 277473472 492127936 871244992 480747872 419513760 298915168 1-oleoyl-GPC (18:1) 23765128 25264872 12877795 30930264 18866120 24397692 17155964 13398188 3818895 27637178 21769206 5825885 37060496 137492032 21313804 20773872 8995055 36668076 32430060 18496852 29550308 65678528 16823268 24790624 19394574 28357658 15525772 28506888 7425039 8276351 15673007 15424642 51243756 18623296 33181838 40775432 44209052 7192502 7487358 20637858 7364351 12964921 12257344 25260352 42161104 37373484 26978832 59825052 26311764 1-oleoyl-GPE (18:1) 33055152 16085022 14596444 17424944 14974215 24446146 9163107 6654387 2209355 14478850 11435735 3111394 97914856 122071888 19613664 10453678 4919205 15341310 13664402 18244510 20665328 28305844 10327352 14862748 3357786 6526424 16564176 44447560 5928126 9129306 19234858 81251608 83519336 21801172 78292016 28964536 18829964 10930226 10625648 16875304 11075754 14690152 10404070 21048140 27649312 45206184 33361466 25708912 23193536 1-oleoyl-GPG (18:1)* 21049004 9505939 6902529 11681544 1902276 1755233 3696822 933815 4462146 1938719 2691859 1310787 1603996 1411616 5589689 1528618 2037100 2608297 1738976 2218294 1902604 1888430 5012506 145837008 12934863 1236770 965292 1981312 12475660 4075603 5513338 10275458 6631798 3416318 2269121 1-oleoyl-GPS (18:1) 3540946 2042320 2259118 4724885 2258194 6555710 2098707 526351 182886 1292236 2231061 12887654 4038029 4308205 1342772 798949 5860049 2814039 1527262 2003980 859821 313285 269194 3036714 4783442 307400 2578373 1002322 562496 485393 228688 319479 1444470 1-oleoylglycerol (18:1) 415342720 196135056 132199520 388979360 56872424 576584512 173527744 14672166 195119936 22280776 17061888 277008224 151367856 52367856 253742928 58972336 175173888 459231296 61947436 140983152 370557216 43327796 72708936 23264124 385629536 73800656 306677120 4179961 73028296 199197648 535364224 99214048 507140224 245963776 291281216 102975496 82302128 34949104 68505616 296587488 136321712 102847392 111829928 482535168 79563648 219508544 11978720 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 41635416 52922840 18123056 23791692 24149880 25247742 13628416 9786439 2883833 38232056 11861599 17504966 98488632 8927845 37472584 18501504 13509485 42107224 21929020 35574264 17387160 86126032 24455604 58205856 24059016 13039190 93171152 62554432 38720140 43052492 29140760 51116036 116976648 127446328 118504744 89351864 100174248 37556920 46924004 153863408 82784824 78784640 146564304 35400840 56643792 94793120 76844552 119210120 129258024 1-palmitoleoyl-2-oleoyl-glycerol (16:1/18:1)* 354535 2564696 981685 1429736 5662954 157936 524176 4959977 5422003 4879847 656706 4370927 4742058 7931837 34641484 2932559 6785189 451175 384083 224537 35032100 5856916 692952 1101806 10620887 1116895 479314 62971720 16080987 122292 581108 14127948 249486 1-palmitoleoyl-3-oleoyl-glycerol (16:1/18:1)* 35355516 48411128 27732236 19365440 27580214 74291944 24706278 5179006 3510446 5439179 10268165 31913848 35988216 1790905 63535816 9890426 35509944 60167952 9976541 92052696 59827272 6010967 95299648 2404241 49765616 31044800 49025824 6727232 13978964 19120300 20700758 164831296 40242332 67405000 74254040 123184336 45303508 15800726 20922092 34918428 229174080 39498736 139073072 77536040 93072456 51555292 143371264 42804364 1-palmitoleoyl-GPC (16:1)* 3565762 3620857 1168148 2801390 5016137 4749474 1326822 4946593 640249 1718923 1726169 1387371 7272677 8036797 2531590 4685232 1871254 9666622 7387743 2037680 5259641 12993424 1905546 3801444 1534672 5305410 1912954 3378359 835893 653071 2154838 2180695 10092536 2623763 5645201 4683143 8353779 1073513 1242620 3292105 1123558 1458213 1880832 4370427 7153255 5647477 4187954 15976652 3633117 1-palmitoleoylglycerol (16:1)* 19136678 8089459 7435674 9974693 2370472 93992768 7580051 942815 4747546 988121 33465232 28663772 58950964 8616698 3549408 38554060 1058566 29124124 47968520 3326965 7811939 447704 53251276 2757619 17987214 4810582 1228797 64650808 5247137 50155064 15172103 18541842 6189434 3356769 5040841 4897566 33910592 12390350 25017594 12099341 45156084 65271076 33147752 2672797 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4) 876707200 932109184 883513408 1031734912 803603648 1201882240 820250304 451149920 266994560 427016256 855742528 784180864 941576384 753376128 1040778048 1256389248 799152320 984135744 1063430016 900545728 818176768 812561344 799632384 628230400 172280944 766371904 957133440 771818816 372815712 448589472 678384256 492048000 836776064 1157587456 990197504 732672128 914719104 416342112 815883776 1441450624 797959360 1001967168 1108737152 474877760 698884224 630203008 772811584 892812480 735841024 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 287887392 300758880 213795184 242588640 276377760 304574912 213959888 56742200 28161884 93026184 236880160 231700048 250470464 57187480 292096800 346253728 242679360 358360224 283246048 225201824 236259264 271788160 252826608 179200064 6808613 191846576 339603136 181410224 108027424 130805656 261592544 136208304 239913488 297032672 230930032 210187808 334580608 150725472 299909952 370453536 237798784 320186720 322067296 224984592 206931808 192007136 239360752 279672704 220021920 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 522778 533630 886870 1309048 951657 1331770 783729 383442 189941 470678 981154 742421 1411269 278164 831692 1554242 1327081 1438809 1226447 1187061 738287 640453 1089329 477890 101744 688093 1346399 829412 506267 398135 767418 755560 662376 941206 674350 560882 1141018 450515 1146772 1583738 819193 747594 1397742 930261 710349 1049138 999210 852488 1015918 1-palmitoyl-2-linolenoyl-GPC (16:0/18:3)* 36317240 21006592 46768884 55745212 5114672 4249332 43692724 3136598 1060285 15866141 50356724 4312349 69256248 20657844 22637264 3958927 4351295 8477073 6643172 56884692 4280850 30929242 48639024 73657336 33477076 6414266 124663936 67704992 20602232 58425568 42362472 52579760 106885136 138901344 140273728 49613072 253986912 10608063 77445216 72216176 75612272 63835344 70418984 62632112 198161456 77209712 42796576 59414604 1-palmitoyl-2-linoleoyl-glycerol (16:0/18:2)* 20071234 28019142 28324344 11536403 2417202 11985445 21316792 228336 2327647 9296539 9144759 5748905 12146265 4239552 4662037 4311789 2172822 4813528 6246535 21031612 10938505 3236055 51799760 41255316 4161914 52957388 49498720 8874244 10510657 7721807 35034872 70785936 23866554 25908128 24389736 44208960 37246192 17482638 12800986 25693180 14855592 15561684 13986348 21018868 65774912 15457864 10042585 12735674 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 1422058240 1515270272 1440855296 1681503872 875262080 1185257216 1330077568 324568416 256589440 1357453184 1395555584 798864128 1901387776 940946304 1579492992 922560000 762855424 974461504 998731520 1675960320 762213568 1204679936 1281437056 2031917952 1116371328 645799232 2353306368 1734611584 1292881792 1676786688 1613320448 1402706432 2216499200 2467733504 2178323200 2131518592 2412467712 1486424064 1780898688 2450136576 2270130176 2221809408 2340072448 1091127680 1801729152 2029626112 1925374720 2452043264 2037417728 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 246408064 267363424 222173008 283735392 152967664 140310672 159202672 16626415 9156188 168981664 264361584 89001112 213893088 27953890 286162144 86973288 73462888 147483776 97546432 307736064 85921912 146758272 247986928 270700000 17785416 49662760 337232928 217157440 170327184 206288784 266487840 171319328 298874208 302532896 256314400 363373344 453405760 230500000 371103712 330098784 319502848 333873440 358997472 266825456 299757568 302405984 317054528 347761024 307101984 1-palmitoyl-2-linoleoyl-GPG (16:0/18:2) 215625 317677 300525 1375676 161219 356151 255555 373237 499578 32921 127035 356627 242749 202563 302263 710985 121816 554698 404831 522705 190661 346814 463793 1058641 978311 249382 406373 441487 269079 343381 565316 762628 1069556 311046 473848 436484 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 409657 403509 1133657 1305851 437261 411766 656316 209865 1081427 789018 228786 1560321 122084 924593 309140 452296 725867 312004 1888260 297157 601934 773405 1140865 287805 224248 1765428 1350755 826443 1065580 895472 994671 1397555 1742576 1461089 1392633 1800984 686364 1965411 1344956 1711667 768903 1509264 1775522 1080076 1686345 1704706 982669 1640628 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1416710784 1530509312 1239153280 1664502400 1632280064 1329137280 1176018432 942103936 463716192 703226560 1214299904 1028894144 1630504064 1307461248 1052833472 1252819456 939434304 1626587008 1349751296 1606222208 1436962432 1460766464 1208247040 1395344896 707588224 1510573312 1987225472 1050055808 998676544 1181911680 1340088576 1032693824 1648216448 1862787584 1648794496 1244791808 1683158784 910369728 1399177728 2297691392 1195838848 1679132800 1539022080 1631858432 1424116736 1438672768 1628153856 1954697728 1921805568 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 100548640 122101144 93222192 134986368 128670944 85511984 77025496 57743104 25034744 46134988 109768016 66655176 139972864 58037712 104110488 52676512 62531012 148337040 75148096 174979520 97010968 108971456 97900688 133889632 18715440 87116856 151236848 78231952 80473824 80209152 123068160 65922020 144391792 164222064 138634576 123707352 173214464 77838016 149132400 159654304 121675656 200727984 117435688 157721664 122650280 134040256 177096848 124910232 238585024 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 1667689 2025866 2138492 2245021 2656804 2414484 2114598 1578877 885726 668647 1353266 1728566 1360489 1097375 2000115 1787335 2123614 1402775 2008614 1499344 1798325 1781953 2442512 1189385 996165 2131769 1530553 876153 1628080 2218676 600082 2891320 2678628 2813470 1808482 2564672 923662 1580152 2107666 1906481 3144896 1953301 2283991 1091772 1818708 2536180 2745546 1870975 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) 3111347 3467069 5210685 7705023 6255658 5502561 6155180 20974542 3626852 7295483 5901109 10442362 17596172 6702689 6956300 4113247 8472470 14343235 7921588 5581151 6887966 6397063 7240739 10370134 6307486 15054994 11609380 7124577 3456272 6093457 4597282 5474994 8292412 9040028 8098709 7468541 6835568 3766206 7166510 5675050 6398757 6781041 7271318 4818168 6846477 10308320 9915587 6767448 11432977 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 233744800 242123472 105953712 226572432 753684608 269973952 128428232 377156448 80321136 32852212 119524432 294348736 514049536 193769104 108578344 425898880 256900992 803893056 357350816 156868320 475291040 352078208 204234032 244534176 103826904 422641920 279390752 181949312 156065856 153342832 220987904 152191248 398687904 240314016 288100224 196355120 468409568 100384864 317442176 389855456 173733008 378591136 296933408 718233984 308264128 379730912 346231584 628312896 515804960 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 39472840 49282204 26893900 29871558 20996098 52121816 23910282 66895804 33093400 20678832 22847094 29732936 41383792 44840796 31058264 32756030 31214278 49343328 40572144 25712878 34825840 62744216 24268588 23412282 40375816 56070876 37168936 20727440 17428504 18771264 13207896 15500099 20594284 26178188 25465092 27512422 29090970 11788085 27412358 22451668 15359155 22372060 22379092 15583842 27234270 48547524 37943872 24537968 24282420 1-palmitoyl-3-linoleoyl-glycerol (16:0/18:2)* 309548896 349645504 282619136 152218720 55347312 202976304 206291344 11048745 15833104 88627424 136786224 81020032 196795520 96084472 63578656 172079168 44396608 97418400 121614632 224460784 58991440 252018448 50638776 488314208 131023656 121024304 324269056 386949632 97910392 139853744 145117024 177936336 488577824 346390496 456443104 399951424 538439488 269283584 216507584 176086800 273360160 323252032 233705232 206973200 310753760 502674816 319069568 393188544 167920000 1-palmitoyl-GPC (16:0) 117746832 144763200 118941144 277543936 227784640 263630256 136855040 99586480 32257540 123376192 188194944 72439080 192290080 826741504 147639984 232983408 81398544 213162816 225983136 126346424 199165952 123630720 146849712 100577136 326370304 87128536 112934592 146201008 42490176 45169272 121126560 67805440 312974208 103772752 141721824 262437856 262999680 45720476 73497704 187539520 63440804 85397840 67839872 160787360 261774464 184246720 172379968 373100928 122917144 1-palmitoyl-GPE (16:0) 112796416 72724600 62609184 60899072 76659000 121313040 38727332 12698617 7846088 25450474 51965248 24938898 246162688 435281440 46683888 69719456 27260238 50445992 75357488 80352136 72091528 38864408 42176044 41418556 54823600 19812132 68424440 90900000 20665388 26038412 76916680 136379280 236371568 51035664 135322976 69990992 75825456 28795746 59067724 58867696 39887608 56311976 33352636 96788000 88780032 119149760 99424272 86239392 54460324 1-palmitoyl-GPG (16:0)* 2459349 1075181 674357 1963670 618111 748531 671918 1707888 272149 399487 742130 720397 14848970 10615822 666201 497178 290228 664270 559190 505861 516939 784178 786368 2999091 1457119 2938323 714035 326146 1728337 5976540 21112512 661750 5552347 981934 492596 749702 530926 857735 1105354 160079 753481 1928887 1885523 2014871 538584 490048 1-palmitoyl-GPI (16:0)* 8060858 4327634 6067178 13460123 13730287 15009867 5712065 1831357 126790 2874927 8136436 2514192 3087922 6225954 5227195 9070648 4417179 5577688 11912070 4443015 6475907 3098815 6425704 902882 23506236 2951627 5454438 5713320 5245381 2878544 6345427 4337159 22784466 2780013 8145902 8232996 5545627 3301336 3760111 9935139 3198771 2973414 2182052 19133056 9952150 26567892 7185196 8693784 7371165 1-palmitoyl-GPS (16:0)* 1681950 974524 1110627 2382573 4047112 6569478 754090 371065 70926 1025928 1495629 1051300 2469800 8148436 1345844 3513631 1046369 1980936 4161360 711468 3271088 1749048 2608176 6306011 453500 834104 2208813 1288305 955205 2345286 4259440 8712035 907214 2051402 3362731 1577140 574382 629119 2000544 704134 664510 828008 3372188 3871569 5894955 2475435 4191470 2474511 1-palmitoylglycerol (16:0) 389569024 169953088 132424760 190408736 34498680 479062816 162838832 17898796 33538352 160451056 30583052 90859800 401966784 213751376 56311544 426548832 86279400 46863428 272344448 156836272 164354016 273188064 69535632 125505008 71115280 345894528 77105248 718284736 15011207 153209344 123843064 499989376 73034152 349354432 190075376 117281264 75086112 58482172 32375866 57789484 246188960 109543224 100015896 99070344 383116512 237197024 155780672 92305936 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 524251424 580139264 557838784 642432960 357127872 787032128 461880128 160412288 140915200 250614192 640503808 359619104 372878048 453506432 705283520 666280512 454330016 533274944 645286912 466715008 416116672 585324672 450175904 288851360 107173168 488571168 478603328 403397344 162225712 128636904 312428224 173249936 362939072 584131648 581960384 364791584 402652928 156349312 467784640 783939776 401592768 475838176 645339136 299359936 408054368 422474912 496006688 385281152 430261024 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 532588928 519699296 455214336 511972096 404018176 446679680 401981088 116572976 60186820 285342336 484997824 331747840 484284256 139774208 595471744 428466752 343777280 491226688 389234016 507827680 314600000 595539264 385498016 518411104 27437602 507906976 651907008 414474176 280199808 317962144 480819776 261210208 528089344 723421504 615582144 500698336 592648000 314766656 614097216 805906240 580305152 664507264 661181376 359858976 418909088 457399584 509150112 581091520 467435616 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 7844768 8966394 7017650 6407702 4532508 9042909 6061868 2378904 1810590 3665252 7124333 7616960 10415009 6509134 9691325 7974382 5548216 6236964 5483632 9260668 6079875 7418202 5089050 7905421 1622566 9252607 12882162 7093753 4494449 4588316 10484493 6499416 6820412 11837577 10213012 7897268 8965993 6511855 7793831 9059201 8737797 11084535 10908780 3736085 7671451 7339406 7730462 9274491 6800957 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 89261160 96032904 60302708 93077896 94295848 123337520 45012348 48845844 27694980 77436600 69406176 78102144 59036084 50899888 143048592 136976528 100563640 117590352 110208128 51650084 100607440 134189832 87193968 74081408 18964632 114536240 61418912 65066508 44811984 29861876 49606816 43553332 75550472 84317304 65142000 66953164 61499460 52584184 83637312 191566880 85759752 87639168 177442384 73632768 69936568 67704096 44972016 94509016 69291120 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 778222464 853966976 886401536 952281600 333606240 600974848 736294720 84724656 92999440 855422464 1020136960 261208992 685554176 487731424 1071873984 382486048 352643680 396210240 503654368 792850048 293581184 669618240 694172736 854172928 733210304 294368416 1055229888 919231552 669269056 589184512 747411840 535049056 920867584 1090178688 1174585472 1175555840 1167983232 640938368 928884928 1149131392 1154522112 992237440 1302151936 589397696 1009923456 1368324608 1145390848 1095048448 1113692928 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 247524784 269827488 258978960 388377728 132072952 114930672 177736448 22205484 11967575 280808992 363413536 73569312 225063808 49607964 328676288 69414360 68546608 116204768 91074480 338236320 70141144 223573392 237374272 355288736 44320148 93059440 397338272 257473008 203103376 229278128 294867360 178715760 293565408 347686656 320779712 448010816 470734336 253690992 417641856 429535488 396257120 331437056 425003072 280132768 339416128 410263328 403636096 426157664 382752608 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 1247144 1290772 1848564 2271396 505127 584644 1193230 287459 100057 2286964 1480677 426878 2405261 455375 2258820 370750 481997 798144 346463 2665139 410497 1962239 1053032 2904826 1189816 648929 2410845 2112466 1525089 2290599 1546897 1614823 2457530 2602620 2373722 3546100 2680416 1857294 2948428 1927973 3205895 2180490 3127523 1343769 2011980 2267483 2482197 2346470 2313573 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) 15859693 16698883 21514488 34599976 9271410 10943392 11734884 11151061 3330339 42401400 24414582 8863590 60130540 7886693 28732988 6914413 9794411 11671136 8011452 31440044 5597700 18144226 22949952 68149216 34872960 15377174 62844292 40905376 19797612 43025856 28105040 32084968 35017040 59728452 43803092 60749012 47615816 24794794 39196444 27662864 39642012 26905892 33517078 14351057 55193180 55913440 59211264 45095872 44634384 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 268606528 319824064 298446912 418686112 334943648 320204832 238420256 136264224 63459528 148478112 404770944 114765856 265361568 212344752 217102448 197925840 160524496 321579488 301536320 272236352 265733728 385451424 281888288 189994960 151139216 439160128 381485024 187840720 158147888 126697296 222305248 133725248 218955568 239607744 334925376 210315552 287900576 107780304 316154272 486777088 149389968 202826288 286674656 675498496 331667040 481332128 454511680 341567488 476130208 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 55443304 61982644 54513028 72653528 42673456 51920532 42364616 62985932 24092062 39078284 74376080 40936912 100602192 49137316 62356304 28902138 33158640 65267144 40092452 81695120 43361776 82711928 45363532 108931520 28060708 101612000 101347144 47667344 37660512 65462892 55367888 41823864 66162704 84494088 77308472 73285680 80520128 38796600 86845040 84607352 71494552 81216552 62503584 69636872 65078720 104479496 106466832 60058700 115428528 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 675439 690636 708225 903502 506670 1219878 668358 2091492 806039 665266 765591 819505 1126608 459313 900738 612978 956614 750522 741002 870566 789255 766662 773325 1163097 652743 882286 766113 721248 474387 775948 643430 736496 653424 892578 641504 674601 529079 479350 765990 405593 700256 869551 754489 542465 750221 901161 699382 581802 695370 1-stearoyl-GPC (18:0) 58022840 68374056 65714640 123947520 78713304 115658584 58143836 25002312 16438301 54953884 116655368 26040648 48359672 407611584 77209248 78287504 34667472 68527216 92317744 52359392 70826568 57148208 67711992 31011780 725556480 42738536 33302414 58787532 28970666 14549195 44821344 21632694 71160832 30527312 49666464 88811544 72477320 22205416 36664576 72106968 25408124 30117576 31363816 81274312 102113144 89539696 73201168 88563808 54415352 1-stearoyl-GPE (18:0) 111749096 65666532 46853420 53593368 35498588 80633368 39140004 8095132 6469990 33152412 63106280 11800683 242849808 562430528 70815264 31776082 19235512 34116320 30455878 49155460 31388974 43279120 22612328 36248640 272809824 31397468 60977292 82342104 17318940 13901347 69385368 93924480 146653088 51626608 145715904 60994544 42300908 17366682 42018132 59911032 40877816 37590920 21159244 39818376 55614968 89717072 95404864 91674496 48964748 1-stearoyl-GPG (18:0) 923545 685207 455348 435050 289144 72402 177016 756724 4484200 20593688 210028 387771 2865033 484682 1627102 1092054 1871385 4514090 237389 2525352 122011 483038 741813 719452 101513 582640 973408 344087 870603 521893 1-stearoyl-GPI (18:0) 66905456 33112290 27684904 32810978 31500320 61526432 31474300 3514274 1285401 18542964 30260528 8390206 10698671 74001752 28818932 17678542 10083180 10854116 21906052 25978446 30290498 18339700 12482091 7041747 146490544 15828336 12722355 16683031 12006505 12559541 20296288 12626426 62052560 14674491 30974382 35103712 15324229 17834248 11590654 22734822 8457412 14739541 8584002 24065388 28868838 61207572 30898720 45252508 15832177 1-stearoyl-GPS (18:0)* 16616470 8462499 5098464 15380897 10659893 24504070 3878580 1700630 1247246 7113164 6982930 3253785 11810395 44387268 7763676 7213245 3562259 4921175 11659271 5031236 12163540 7548160 5603607 2888680 76333120 3678071 2544045 6884430 4007785 3740659 5432426 11497852 44289972 3349319 11368311 11231042 4792268 4670589 4688047 10063303 4499138 5941511 4081749 10236988 12376131 25056640 8878740 15539488 8627110 10-heptadecenoate (17:1n7) 222810080 155540256 76295960 76186920 14761068 145629392 61312352 12591218 10650628 41273496 23670748 22839460 260468800 72612888 31851012 97475184 45188100 30306348 133668992 47655176 45443048 100031208 34008548 255273024 63665444 150337344 116167224 136503520 22347944 44526492 84547096 105618784 690717312 187030128 348150240 214920384 179564256 136193264 64999768 76365656 118310184 338137056 140646000 279094944 183298656 464987040 268924640 400713184 119673528 10-nodecenoate (19:1n9) 104262496 49458080 17172056 22274500 3813091 28901352 12018729 2638811 3203474 11221514 7586618 4406213 113956960 23673458 10884670 17337326 12109041 7789397 21125200 18252422 10022641 33592420 10194236 49870872 21109574 35571160 41728504 27209086 4134955 13392014 27744338 39492520 269543168 59675008 122117936 47188900 42355272 33908588 21849296 17534196 27611882 71208296 38562888 44475516 43319388 139203632 72680248 97330832 25365308 12,13-DiHOME 1446673 2810785 1140583 1317967 1156795 3780537 1099965 4649546 1106968 840379 1729784 1589197 1626521 2684557 440818 1061098 2524250 1315085 1385004 2629973 619498 2752630 7544356 1040666 1547073 3289992 2075896 3868593 3872686 3265029 5471342 1715333 4110165 9596336 6153787 10706070 1461277 2327705 3073319 3669524 2894624 5830893 6036671 11505690 6904172 8474343 4811635 12-hydroxyoleate 6279985 6719376 4305084 2707296 3501173 7638646 4163629 906117 3969282 2640151 2033172 8808786 6032089 2063267 6887526 4359443 5832937 9019207 4973641 3201174 12023800 10429410 5504992 7622332 3691376 8200385 16227681 7150416 7959851 35267544 8113053 7060892 26150386 13334854 19721458 6116493 6975702 7479457 20618896 10927200 43125688 8808670 27325208 23745984 42766308 6445312 13-HODE + 9-HODE 13504892 20569960 5656989 3775198 9886316 24370552 4684152 789111 1032214 15802700 3893857 7930043 9370894 13516360 3775611 18530926 2899015 4621390 15014018 7559049 11117320 12794171 4055255 31574410 77588800 7902042 13483141 18106320 27151672 63062032 48945104 47409804 116427120 22744428 38238196 184280896 87363632 88313920 11082079 32847680 62385668 17697618 39865780 99743752 127040184 220811664 96394816 107643720 57382368 15-methylpalmitate 211072704 104452024 33662064 18449800 13750775 61580088 22552100 9263101 12866157 15366476 15050073 12582465 200072944 35029064 19301750 33383840 21254444 19855164 43431156 32436132 23021608 35537932 12101314 88507856 42766288 54906320 82093560 69684400 13392786 34991176 75959976 76164608 328105088 99814928 160859904 77421696 77025016 55269876 48145256 28633180 59305928 83158272 82361928 94537160 89403456 232365824 146342640 157930784 55321404 16-hydroxypalmitate 1202127 1583206 579781 967275 1134088 1716198 567241 150093 833075 442929 758779 754209 1668270 1100164 711767 1669977 375362 951119 1409374 474576 1364427 822220 796587 1672037 1708571 3582760 1292291 746206 1392011 2223399 1040719 1171633 3777305 1641939 743568 1982868 2777073 1966303 1758589 1104494 1486189 4965343 459462 1437432 2084194 4147932 1794096 3138736 2212546 17-methylstearate 10217859 5671427 1459605 1386179 1305142 3703479 1814040 556954 1150760 957901 1177944 801183 5174322 4053090 2026528 1544256 1846569 1312170 1832400 2042998 1447591 1943976 1002249 1996625 3296673 2662938 2413362 1603579 546304 1248236 1804247 1979371 8143324 2227268 5232935 1973261 2178181 1707755 1289089 1500480 1108980 1987665 1513758 1925341 1603218 4388364 3599716 4176559 1544915 2'-deoxyadenosine 3'-monophosphate 55257 58783 24869 372460 57112 139277 31299 55231 53283 38814 37874 116411 74976 123537 299078 79161 50691 62391 78137 133853 335382 25321 722676 93046 164463 56547 208923 140265 140876 54970 106268 86211 42408 314096 214791 252157 19829 2'-deoxyadenosine 5'-monophosphate 36891 69309 62971 47258 238704 28151 34058 36522 133745 51567 150604 59051 93696 44461 70155 97373 191981 2'-deoxyguanosine 72640 77170 89122 568608 419264 673808 139201 128127 123059 99067 343652 544465 268162 508484 595435 841483 634384 281814 421070 236247 152411 593334 284838 1674323 899996 1546789 227685 366942 504110 260443 727458 427028 427649 704186 352011 370971 558604 394270 268658 499316 519209 417376 874229 906681 544240 779149 705976 2'-deoxyinosine 408306 327784 291383 1197844 1194768 1388830 336843 214110 47264 440550 230534 849918 1003952 445122 794402 1315068 1341825 1364860 1331738 444350 827761 960831 397427 1080160 689610 2623432 1887228 3139894 677659 878500 905607 624433 1020604 521560 374769 3594524 463156 1368682 1075168 946041 660128 707665 852175 678898 1096869 1428080 1285734 1035708 1510475 2'-deoxyuridine 223750 333973 270162 234418 658428 814351 386474 147406 156466 293475 189848 139914 148324 103240 612702 538258 811304 838512 116558 661440 1478603 164459 152120 197663 352172 205285 288652 64354 111015 128573 154457 162139 145033 102182 40759 169766 258983 65332 238791 68170 84359 72657 174757 125646 2-aminoadipate 21231316 26564356 32550064 29129418 24222452 85835536 32885380 71359304 84331608 20635308 30495084 39772936 56795524 15610421 32990340 56320932 73798416 367987552 90681168 114688528 28598080 38397896 23068176 280382720 231712944 20427424 25700140 183230368 42670920 64340380 39004284 36467612 58830920 63607124 22126986 62555212 307111392 96667848 403115136 257919872 144143664 80701792 136455888 83555184 190340560 87485568 62258512 159300240 430854272 2-aminobutyrate 142247600 169780528 242234656 357174112 432050368 282380192 238245568 93075384 235534688 133302592 277117536 175287920 241476880 132333616 206854912 378505120 442381728 286776448 274546528 316540416 358171328 378923264 262785344 771360192 227131808 221518800 191810656 323928928 148639264 322880480 296352640 167454512 1114316416 1044240064 315394112 787136256 645083328 451789248 601531456 713642496 432654432 533474912 461666592 297364736 385074624 901161088 359466112 686628032 624931392 2-aminoheptanoate 788777 995584 870736 400088 2782651 2578743 1510542 1153926 552049 828472 626378 2066558 890348 494219 663648 1287261 435329 1628055 2313166 2939706 743468 958785 1172953 1240152 327350 972952 281391 2754286 3353832 1621966 857660 3569285 1073154 1499496 3316402 941524 2243700 1029711 2286577 869186 1291106 894552 3266550 2453904 4224638 2900122 3500489 3600250 2-arachidonoylglycerol (20:4) 2128416 1029792 825489 764438 323600 5514795 494162 1060876 392501 346308 1583592 2669060 556399 2671182 668014 405944 921215 551472 1974461 2227475 465128 2267482 325807 352927 361296 212696 609397 1840919 382159 322797 295858 251353 376109 715544 307480 856339 582719 421501 2-hydroxyadipate 252415 284656 1556929 197866 577031 448402 253567 3404984 218672 849085 288127 562175 1224705 655992 1628220 2870747 850503 468806 401581 423631 597770 745408 281869 538223 560348 433559 367489 589530 589324 1399570 2-hydroxybutyrate/2-hydroxyisobutyrate 12285219 15834322 7304040 9373605 6330036 5109004 4637985 7123775 41037300 1762804 6629068 20185280 9474941 25010880 13445129 5289939 9984833 9998358 2957988 18894658 18132244 49289764 5876863 8184164 65469552 11307071 5605991 2835357 1504821 6529358 1357022 2317473 3385301 5460026 1737201 4911129 5709097 1467240 4701817 8871023 4363449 3659534 5896735 5178655 4139109 7587468 5435650 7093813 7659191 2-hydroxyglutarate 8929113 12270794 8680221 38773112 7372253 11217651 3065722 5619169 10969806 5215601 14637428 9650782 24088840 6488669 12652993 11370353 4528305 5583204 10518386 3471838 6919683 11558351 16923730 7268488 2421964 4976516 20095044 10404147 4277647 4052627 10968816 5257909 14919863 3787740 13938028 16126410 44016912 3840768 10964758 17906200 7611582 19998116 20760866 37713960 55820836 32635366 14428097 19675678 20915322 2-hydroxyhippurate (salicylurate) 72692 25560 28294 30011 420606 126247 179389 39536 30170 25557 123788 85471 265951 286499 123328 26151 27211 39862 80705 62254 98270 294924 138736 563242 803497 20883 48562 41435 78720 2-hydroxypalmitate 16865614 8604882 10278041 13628206 18104106 9354066 7200808 8325279 15497984 6710485 7472027 25131432 12082076 5604294 9313552 17525574 7751309 8976257 8505196 8356684 11814319 6438230 9196173 12786244 6967704 22509454 10379092 7370148 25252902 42448584 23842522 12935129 86333672 14196593 19437678 48810500 11544044 34917468 12803368 32389910 10868838 15356022 22998554 61997816 49634572 87467096 45023032 75204800 48123232 2-hydroxystearate 6030198 5908318 5348660 4970832 7566533 4120737 2923329 2794366 2983170 3243715 5243362 9403334 8861805 3896951 5220976 7252380 3508971 3070638 3790453 4405388 5373121 1695393 3717657 10463304 5737358 14997064 6122622 4862255 28192892 39327068 22187536 13616049 86813176 9214899 15113824 42059832 4969825 25959430 9265973 19411452 4706466 8373719 13938004 65989216 55582476 77990752 50362648 79238840 48995840 2-linoleoylglycerol (18:2) 33834128 15225668 21680864 18103466 1462497 116190736 14897729 1058015 49573396 4243654 16946288 24489440 16217359 6900477 29919070 4039078 31646730 8028364 11352868 64126928 8606772 74918592 2171044 12973292 10311494 29096418 12335806 6501863 35396568 10158734 75729616 25855664 18233536 6438293 8798779 2650563 16552134 8606731 27482424 5240324 17493968 54816452 20486136 52521240 3124567 2-methylbutyrylcarnitine (C5) 3580201 3762416 2728392 17277956 1351710 2596188 3562826 9401413 7058459 8771001 11829121 2509765 16464912 3367666 11662066 9295116 5438446 4762886 2464019 9124888 7428209 4075724 17875456 34915884 35750732 3651568 20376372 27580942 5790129 20317490 19305296 21536220 28746888 21912812 16404462 27223166 28514932 2929755 5823104 36046848 10520601 19967750 9742699 15714355 50061968 39569340 20981288 152091808 8895005 2-methylbutyrylglycine 111807 522937 1330339 388627 431214 374229 662855 540563 859825 689838 705577 1209939 419452 1516901 715063 528591 443310 538821 689011 1581274 660385 806989 1046755 1394426 953806 804574 656757 726637 548808 1196869 1344524 754054 1979465 1636675 2224867 887499 3448335 2138848 1277903 838914 765882 1234994 916341 1603122 801557 2-methylcitrate/homocitrate 225407 273804 557679 466940 931736 608793 398452 266577 236606 1479436 449932 408593 1972187 224764 474065 484782 333405 690265 412523 1700153 838421 408625 623882 642588 1050448 1359848 1066909 649664 370029 763080 669188 668412 932673 1127554 704011 1000239 1925536 610353 854255 576309 534753 2412071 462581 632651 840891 736160 819329 1597086 589441 2-methylmalonyl carnitine 149306 117199 2333075 1124510 2848852 1149318 580332 104302 1868615 861469 426233 2444320 318991 5890509 2388710 488124 1708276 859746 1554937 1868442 271090 1363606 438660 5737236 980770 1135352 848264 311803 250039 403777 384407 1155069 1491236 1660414 515493 2142326 215716 1745075 4848344 436081 2777563 778775 1343804 1714301 3337290 2013254 2322755 638730 2-myristoylglycerol (14:0) 12214432 4278480 5389372 4325849 11110808 6721891 734544 1793767 7581410 5516448 1312070 6728710 1823601 748220 3782715 5817589 4488645 1310521 1203163 3035880 6742465 1479996 4127899 464493 1435391 1576045 7086337 1841067 11424643 2728534 3399870 507097 1296804 651757 1477864 1913966 1660119 2466154 9687923 10805847 7393192 2-oleoylglycerol (18:1) 117798368 47601212 61750512 98953552 9173519 263781296 70271072 69476192 8562321 5962291 85950896 59333004 29045912 126326864 33915196 11672693 136529504 29297898 117121552 132420112 19373344 17922768 4684789 120806576 31996726 78465288 52456560 32271890 154863376 33714444 184857904 78097528 53360516 24422438 38906832 20689948 24414196 59812032 55748712 39154792 47116440 141641440 37014792 90090648 2-palmitoleoyl-GPC (16:1)* 3222162 2641055 516569 2440515 2108175 2489698 889540 1707181 156536 499258 1810813 390140 2163884 1330988 1624193 3489301 2476176 6608930 6931162 1806964 1952741 10472258 1484254 1390057 5868370 702386 1119098 162983 195896 993534 210187 2879540 740607 2379470 1098991 9985688 648374 580185 214978 812087 1512898 2223315 1877293 2355610 629703 17236564 807938 2-palmitoleoylglycerol (16:1)* 5259212 2234101 2315204 3275809 1545802 39857624 2363517 486449 885781 10385947 8073499 20514296 2898862 1327295 14885399 14969394 12366919 1133096 12711747 916583 4318764 1208756 13877547 1218623 12592841 3528041 5669896 1911505 756263 648397 1842303 5841385 4152274 6055727 4794206 14218777 5423970 11867857 890958 2-palmitoyl-GPC (16:0)* 5539991 3541276 2659311 4821966 4325979 7032170 2303972 2418278 933973 2048057 3768788 1318705 3510319 11651440 3022222 3666363 2019928 3070878 4155160 2371031 3825500 3183635 3009504 939893 1662660 2311023 2531606 2821044 973551 757733 2290954 2700187 9618963 2157452 5344578 3704522 4227797 1030533 1390680 2985257 1599756 2047569 1497997 3132051 3799421 6323153 4096267 4836762 1927116 2-palmitoylglycerol (16:0) 151340512 74609392 62290408 58569220 17453716 268566336 51933232 5103049 56768992 11966246 148597024 65334728 59240316 127042760 55183572 23251666 124800328 41526988 97087768 116402144 25648340 47859876 11853795 137988256 23865224 98852984 29730998 39321020 26580992 88710432 19278212 95319928 56462328 30596382 17625056 10906268 16283637 49116480 34062788 32690942 30085246 112321920 35012832 41864792 21002530 2-phenylglycine 693822 957422 27569470 555823 895739 108559912 1536573 28222456 1007247 1549965 1270755 1023196 1166976 814029 675445 1499592 788765 2492517 661968 877378 1219666 146098848 929046 546533 582130 528450 1011857 417240 2155483 707269 1192849 1832624 791253 890103 610781 1070659 956394 2-phosphoglycerate 316455 1485870 990284 670070 211617 194785 459578 18756072 242043 671651 122884 32479 483717 1434189 248237 10175741 823125 4105348 10555135 413790 289919 493630 8470109 294528 12881161 16366157 30993156 4597337 5837062 1602663 36045832 2286810 1676016 53468096 8352942 4369362 7478869 8271594 18639566 15260427 2-piperidinone 981772 1137904 502289 431956 918783 1037655 988998 793820 830026 695530 2710596 1191644 1255804 2585264 2014639 2954057 925829 7980304 1089058 1570704 1415542 2472497 5968041 2339425 351790 937391 422937 1952309 1168303 1166943 1599863 1256825 654004 1817050 779906 2704466 1350396 2293442 1705704 2-stearoyl-GPE (18:0)* 10080489 6553613 5359253 7633859 4449819 6516860 3149902 1092125 1334119 3138805 7341560 1181497 19075376 62524724 6131573 4842998 1655094 3684139 4801545 3315128 2813373 5266602 2783883 3946210 29035556 2390502 6871055 8100235 1917936 966083 5282886 11100695 15893565 4304039 16035773 6175553 4303009 1392941 4556573 5455459 4784967 4553256 2289879 3675148 5704202 9036134 6828239 6767389 3632599 21-hydroxypregnenolone disulfate 217858 329461 2005390 1387631 311380 2844645 4103134 482883 542285 726846 280958 239879 452066 208758 1544585 1058768 50208 241353 3'-dephosphocoenzyme A 228100 295096 62305 1947250 166290 288615 235074 434829 117940 2393613 1107126 1562646 2559434 204729 626063 1978003 1195914 1757726 2745942 2545318 2049367 1621345 172899 750479 748315 117491 1754237 4281022 4497494 2227556 1542476 2713991 1318674 1054467 3-(4-hydroxyphenyl)lactate 4106478 5185146 624536 2249627 1563293 1275406 916397 8142165 35508896 1158744 1396198 18949170 4462561 46639000 1204272 3765617 10839634 10881546 978021 7207786 9069481 137748640 315578 9400304 25282540 131381784 910928 1084617 4030016 2684106 3380445 1287915 1533598 924028 541795 6969291 2408901 1446727 2434138 6555907 873258 6411165 31044576 2015108 1283572 1962320 1110228 5349169 830490 3-(cystein-S-yl)acetaminophen* 3483751 167559 22953134 23195436 348175 617915 5818922 3385001 9969857 1066828 2488689 2511848 7907352 1748535 1299459 2576174 14098057 10732266 258348256 87658536 3-(N-acetyl-L-cystein-S-yl) acetaminophen 72838 1429889 1357816 42265 84994 140399 63812 137767 30582 102975 7511296 922983 3-aminoisobutyrate 309788032 313201088 81281624 68323328 44148364 138788272 43471152 12427712 34366424 37932384 36140192 61513988 87658488 130721432 38216048 86511456 99467288 205797632 112448320 161630160 119346240 210453920 75715728 138028368 134452016 185016640 50487288 74215464 18210488 33546768 41595348 30051326 97179104 32287706 31975828 70229448 27554352 64478984 110259920 196755392 52732820 56010896 111086536 66066668 59595504 36442968 30684170 102492976 72237512 3-hydroxy-3-methylglutarate 3667541 4699039 2483998 4327864 4571052 4344403 3483689 4730839 4025359 41927628 3769917 8449248 19450462 9145137 3033316 4311504 4300593 8641662 4768444 5887347 9235995 16726411 3245980 3257964 5863161 26782468 4746056 1782304 540311 2441906 700527 1043081 1923100 5951173 1888223 2526642 5223368 1499285 1804335 4505237 1846266 1822273 2600289 1806813 1987538 2441556 3678140 4576622 4110908 3-hydroxybutyrate (BHBA) 3526174 4543907 3358552 6450623 2680486 2094911 1542739 1607953 7804827 1458699 4329939 1989834 2817372 2530019 2240708 2016858 5346969 1039467 2000865 4746355 2223014 2975179 2269332 16553355 16499573 896010 2990239 2663677 1264275 2603115 1070682 1162902 3094305 4465554 2594754 1455362 1850088 2460474 2087472 4909619 4792554 8897101 10122070 2373595 2239927 2441264 3260753 3958527 6264202 3-hydroxybutyrylcarnitine (1) 13144338 20265120 23072136 16236797 9172310 6964792 11411073 7462106 4402668 6308615 11601378 2881823 12101316 8521612 3820797 6441306 13873499 3232499 4808465 22394504 5268705 4331177 7666666 11376412 13993364 6059770 4869710 15833300 5867467 12452811 6002914 7947530 5808211 9074817 8678367 10560504 22331432 5640367 67159040 22687766 31945928 33893808 29429768 13036978 30960256 9362312 14402208 24473412 42150224 3-hydroxybutyrylcarnitine (2) 12813340 20628758 32062900 21919340 19239474 28113592 29721700 52989720 20106674 12813026 20394352 12571467 25897056 28747848 11900725 20079598 21926568 13813364 16873608 40479232 14871169 18388636 17302284 12333095 22236184 30208710 5470124 20731176 9750267 18929252 14920026 14332395 10464348 10451439 15560762 8796040 23666954 13491362 136926544 21168092 51587304 23644112 20357748 21686540 54770084 19576600 21176216 32116308 53203148 3-hydroxyisobutyrate 1544548 2130537 354827 635241 727722 1025754 463892 639712 5981697 519943 688158 1112415 881634 2307756 802496 798840 647040 1404115 663829 2638290 654745 4071654 458682 564278 4944537 1563839 371286 506464 429609 279048 447563 147151 397259 362870 491965 582968 273051 3-hydroxylaurate 785056 819708 424665 254781 187654 233416 420393 193347 316017 156793 762741 152449 587508 284445 262874 252055 164812 351155 247224 851412 315930 196483 299333 418353 692899 146632 383064 159687 113114 258118 138383 206831 190919 228058 403222 210486 222751 293788 417692 320738 219829 566999 559573 119972 162799 139549 226499 345575 470016 3-hydroxyoctanoate 699417 877753 266034 84744 156969 285585 260076 88544 551469 80170 166842 170674 102009 1098068 99030 101308 110979 145614 211692 181266 261794 64119 107613 144118 313113 382279 98062 102989 264552 258501 132112 66927 357757 90767 257202 339726 173160 211656 312801 266657 212975 135050 112610 260511 310226 312319 299218 359849 545239 3-methoxytyramine sulfate 276865 264452 55649 2364833 105547 58554 16750284 48783 160769 49920 6366693 2267856 74874 108447 148857 91172 11438782 87666 172807 142147 14335637 39176 3916622 79676 20102650 4123630 650078 287955 1373632 1795656 575219 2135352 489071 374812 154259 586925 11076 654616 456065 52371 5745545 4184022 62358 538887 23163 3-methoxytyrosine 2744984 3214622 1290417 1047021 817222 676976 1641658 790231 2042806 2822410 1621475 391386 2320436 1350820 1316036 421365 659888 631703 516707 1274115 672444 2382932 1564994 868710 760734 409465 216447 93957 433473 268423 592265 534625 293135 164773 410378 725631 187537 331218 333173 483711 186255 639140 282033 476370 3-methyl-2-oxobutyrate 766359 548593 539325 684067 381354 698399 579309 183441 873525 635165 573977 522470 521710 492971 613321 506724 708889 3-methyl-2-oxovalerate 261404 1113802 1029012 716279 962604 953937 1167567 746263 463140 1282979 599862 444153 847537 510717 673757 378099 712065 532232 697216 412260 500496 550626 1086810 541887 1187250 1014767 678971 460553 399433 533102 622486 1043575 1827181 650915 923348 3-methyladipoylcarnitine 6730374 7684023 7139752 9985351 8193718 4552026 4059227 620060 1951640 7401103 6366905 5849743 1827415 4034886 10837951 5255149 5927971 3033945 6547872 3334970 179658 16567170 2653648 5396905 5532174 5352203 5552012 3277378 3576985 7745021 2336482 4993551 8238191 3402912 8523970 3685942 4318448 4865112 4388160 8641607 10776734 10613303 3697542 7575646 3552433 4780735 5665098 10701035 3-methylglutarylcarnitine (2) 478915 2726906 12634653 76360480 19883852 2188481 922202 5758721 5067721 9381935 133515856 730940 7190609 10913909 15250320 6634488 10915001 19716780 12707164 787071 15197802 12483347 26782788 9725476 16042714 12249102 6362233 3945012 11519204 4568379 5009370 13962068 5346018 5482377 7422919 2477477 17052678 23235568 3378664 18985868 19299536 8460459 29566394 4192880 23725730 25749840 13421128 3-methylhistidine 2498907 2695137 2588131 2618772 21977916 32576582 2394271 40477692 1851642 12019858 2487873 10323967 22016496 1993455 3055560 5757532 17040914 13415232 56438120 40055884 5078408 9946577 2847451 2578962 11197266 7827634 5146019 2748640 459240 731849 1109353 292590 4532564 54055092 8107819 1994066 12226739 1965207 15896095 6031920 1327875 29187376 2003548 1632872 11664583 3796541 7567444 16011868 3065998 3-phosphoglycerate 392369 185776 11091468 53371 449357 4763154 266791 2153479 7871579 90754 3443056 930584 6234426 12068202 820620 1014961 1072326 27561702 50114712 6058030 1040436 2717271 3195123 10523047 6630395 3-ureidopropiote 54703 389684 346232 402484 131768 42770 108076 211796 235074 66857 120071 205982 182718 41055 157405 27637 93067 91409 97511 73580 103232 43310 73885 4-acetamidobutanoate 297958 367194 184314 185771 1738379 299481 204172 550532 815666 5508562 245845 385907 1514465 1071642 906874 274256 247564 1156243 234922 874710 480743 1444668 208213 216573 786248 1346261 188627 140784 192478 168291 212433 188388 297204 370761 253495 266538 261706 4-acetamidophenol 80192 938144 146581 103265 399006 246135 514473 70731 290784 102958 617135 74633208 408504 74049 234111 181065 44375668 758978 398341 670699 117121 550505 77362 1786848 182958 158455 744206 2129169 162513 393418 74929 233774 4571868 160075 390282 3356817 140719 274307 18937472 12409918 4-acetaminophen sulfate 51473 32383 221167 215462 6154406 9517438 203016 75993 40754 349406 104576 88699 505555 65247 1203933 1202387 4875853 4776626 4-androsten-3beta,17beta-diol disulfate (1) 1775547 8141760 184452 7660028 280495 45773 80392 172630 317850 46693 75805 1238188 190368 123550 74550 225898 216102 162690 278016 4-androsten-3beta,17beta-diol disulfate (2) 401961 498919 7394709 5882049 202023 1125149 10504410 10145970 98469 1115684 1879898 4622509 1868356 608153 1240813 900344 45764 3568093 3706153 316547 62578 1075895 19807 82895 4-androsten-3beta,17beta-diol monosulfate (1) 2381068 2387252 112125 2423911 67127 34894 337261 54299 25896 91725 2979032 956085 1730237 220746 878407 699458 585475 1593370 1477743 28546 92754 134088 4911323 64677 169780 425719 553769 444226 279211 676714 108129 147021 327362 240472 100431 760956 72045 4-cholesten-3-one 2018288 2388124 1623567 1400734 7776074 9992315 1446906 3218727 1349004 2878791 1449956 6725372 1611883 3412416 2396174 13199408 7184278 7128332 12498121 940334 11744382 4518048 2281308 2325223 5867088 2593581 1110797 955124 2399656 3231438 1870355 936411 4695165 1007049 2165207 2690231 1405099 4519325 1098900 1843134 1265194 1469707 1016663 4404283 4838336 3661304 3641426 4178912 4409998 4-guanidinobutanoate 997042 1059401 3348883 2301324 5010461 4570802 2625002 872676 1354791 3534873 1767076 1381535 8444998 2358732 15331110 3050946 1499503 8125299 4016974 17646652 4314737 39230624 2512563 4589523 3851809 10201184 5142299 2149699 17725556 21501372 5444810 76509776 2730940 4164331 2214103 8243397 18036440 4317432 18470422 6883500 11792419 59606912 3201741 3711257 5440820 12997634 6204456 17268876 8852760 4-hydroxybenzoate 933359 908530 62573 111517 354480 128423 59803 503464 316972 421515 254799 90007 40128 118223 3983615 380175 75151 13570 54515 134793 133453 83159 4-hydroxybutyrate (GHB) 5529216 5461240 12563863 4607903 1324163 6892148 6940161 12092371 11899239 2313972 4985791 2186597 2038466 17568584 3671926 2559170 3140521 4401717 6977012 4816512 2527049 3434472 2239929 1086953 3682255 2495637 924907 1805617 2739716 2098936 1807019 1790263 7698391 2565838 3619039 2756118 3355755 1740118 4-hydroxyglutamate 1161970 1600073 1952910 1752226 2292896 2347883 3986480 608435 537562 1706785 1765280 1346952 6425612 1254821 878773 2157116 1746069 5103504 31481780 1568610 2374056 4920770 2098314 5789535 2238139 4208000 1496198 1134169 860668 1354609 2124659 1155492 5111841 3096582 4078199 1788153 3956943 1632322 8951347 3906329 2798984 2888222 907811 2868271 4129862 3466301 2202037 3728440 5338280 4-hydroxyhippurate 1604662 1915390 81688 166711 306272 99751 92607 158372 381543 1147296 233498 423235 1271069 1671337 648601 168751 39087 312529 89525 945963 527999 1676162 248489 1604021 3001769 4507337 4623538 2505532 78778 163178 88403 52227 14823580 33905360 2882574 108931 103041 420734 315628 3540955 499489 1022917 16526590 136915 431624 104201 424850 224791 4-hydroxyphenylpyruvate 264071 362726 1786354 250914 508448 737136 126744 38024 74936 310371 632673 326567 3688945 170218 473751 386016 136498 115288 243536 861372 1233945 239625 282490 129797 241930 689592 140034 173453 183979 707442 964326 164849 1132758 1122142 1730612 391576 1105632 369625 253851 133588 635282 745738 471749 1234594 2274665 1637385 1519149 4-imidazoleacetate 967608 957105 1634885 2780294 1388319 933886 662146 544861 1170750 1305448 11717033 859348 2463003 1289541 1043778 930450 1029446 2054659 924559 3787539 1730338 3793452 963339 1489638 1704573 4449009 2727854 979271 4835307 4976656 3665416 4364891 1399492 1602877 2835550 1289665 30328138 58090748 65860328 1687201 104359536 16341109 1161418 1547911 1883392 3322470 2320710 1966768 2515008 4-methyl-2-oxopentanoate 999012 1497169 2952617 1872706 1146637 2243351 165638 1353879 374268 1913217 1365448 596920 314571 3167532 2924553 2116602 602238 881471 286973 1948938 1405578 1675048 134256 824954 1974188 871584 703710 796032 299223 1642298 957815 2225031 995555 1319528 929609 435640 170412 668156 607369 2409847 1853576 4259119 1446059 1574816 5,6-DiHETrE 1306005 2183373 1260480 1091720 1431235 6605120 1140043 362902 163058 849673 1626248 1224034 655691 6211783 964347 3118212 1705340 2621516 3420268 1064527 3916328 1295522 860284 193395 6714188 2293113 518462 596141 376109 503691 910077 389240 548381 305910 498993 798392 462210 1666300 384556 803842 477401 547997 647844 723948 676407 375950 685992 761618 451098 5-dodecenoate (12:1n7) 18626146 22169396 3974416 3044127 646600 1715274 3737768 500346 1920895 1308841 989442 780743 8477282 16055717 1657508 1784789 1159560 1116656 1498499 7146388 1155397 1479135 1937647 8438577 32552284 4316749 2480771 4460026 429120 3695548 881885 1615280 8696681 2446659 3693504 4285925 9143392 3765812 2233610 815628 2001713 6717477 3877701 3472390 2498536 4745661 4527513 11738199 2102236 5-HETE 2689923 5338789 311336 1176089 17446282 579356 2199425 4288563 2857920 19174540 9711416 8456657 8600898 1851282 5555444 4086713 179700 448916 20478224 4164151 784193 1018057 2445304 4451560 4706541 4374298 5375105 5515883 2119281 6935109 5158237 4143687 2689229 5421799 5018946 5677402 2864249 4763490 5-hydroxylysine 9520911 11322462 8661361 12546004 7998598 14085476 8546112 4365564 8720916 15093322 12529382 2837200 5128320 8307544 13580420 7833534 10558557 13215785 14368523 6732229 12977543 20065276 8354442 2528588 10716984 10729629 5492085 57144280 37504460 46327032 10544031 21573008 2232109 3631268 1971492 60536896 2402855 42709752 3808090 3057299 3332896 2260776 2034080 2229600 2381806 5939604 2668337 3186701 2403333 5-KETE 2112807 4800288 386251 3142012 14645325 966310 4009736 4808578 8341856 149055 7006678 8403662 7361781 7349640 835725 973724 1499539 2243607 816634 1173077 586781 147707 1492952 841648 412416 419821 5-methylcytidine 6553249 7711969 6622859 5897652 6650221 4815475 4871371 2389333 1036485 6508737 3747537 1717663 5339951 4504792 4499879 2455647 2519622 3817541 3480663 7031790 5020070 3643457 5374169 3665728 15194800 3685903 5426702 3660667 1978622 2448037 3252319 2372883 4687056 6768644 4494399 4053792 6804779 3792481 934412 5351532 1474725 1785244 4120538 5598974 4725481 3003319 3097508 7210278 3850048 5-methylcytosine 1083712 1322360 1120479 675867 998577 802882 782303 377392 142509 1033405 515017 279107 897549 841909 717818 315035 308273 555382 594175 1112779 792606 821518 757445 549107 2691194 529133 907973 609690 301656 390026 417135 319710 733855 1041344 707845 503822 1029897 535271 906487 161616 273058 651217 776946 717467 339565 366998 815586 717836 5-methyltetrahydrofolate (5MeTHF) 207177 29118 38841 581622 16098 130168 32668 38486 1105277 173807 67334 616635 375216 296148 918714 320226 683269 1091823 2240300 87219 1085410 752475 828821 287953 427261 1337217 818430 1071699 305504 706184 239910 1039789 5-methylthioadenosine (MTA) 2502787 3105458 2939846 1287789 7820328 31022904 18510528 52645580 2086204 7831138 1218180 5563188 8714000 1257871 2470269 31280006 14082534 10578931 31990848 3569017 14160703 25882900 1408779 2148939 1839687 68500096 3135444 583840 538276 3114367 779216 13254974 625032 2467119 413780 1298769 1356187 2911365 1720035 1602692 1322729 1101739 1770371 1299971 1759503 3797720 2535250 1928718 5-methyluridine (ribothymidine) 208902 211435 283310 148298 95485 447185 187893 41678 28959 322262 142179 65116 132691 504858 292689 264540 256769 289715 337536 120945 435572 71125 249467 53204 382709 147322 96894 77028 33214 99274 29495 19823 38291 51050 137954 127593 333731 54922 54359 32218 41162 33931 31743 88901 135916 87960 48090 43222 5-oxoproline 33644504 41449392 76967280 61751556 64331096 69676656 56878760 16189655 30426612 47776760 51238980 38156680 79156152 37435752 59981696 55550416 40535184 31807476 41252136 50000276 66473096 28331198 53424304 86554760 87228240 130212536 47348152 31953440 34818284 39112216 32201450 28510368 82992064 115456472 50440284 45339272 70504432 67209440 102364064 240394608 154749936 235542752 84889320 76042680 65348416 82231280 66970912 146845216 168437648 5alpha-pregn-3beta,20alpha-diol disulfate 2672960 427239 452420 20381338 345941 1751247 386623 257893 493115 3074894 903266 2291177 43930 852859 247146 166407 27691 58975 44436 69329 6-oxopiperidine-2-carboxylic acid 1006479 1733699 9451019 392335 1156804 1043805 743812 2394301 471255 175516 708161 3322168 3104971 1496175 1359234 376642 693076 4281481 513305 555588 659042 521244 1582652 1189721 743399 245699 1158928 456091 1529054 1253065 364077 345894 908107 807504 949938 430057 392116 548464 829514 1147546 1126111 6-phosphoglucote 102489 111868 295002 871152 539789 303919 118481 424843 110570 486486 856840 1029341 3639821 82856 293300 1013881 454281 311547 349261 343423 435619 104429 420104 368533 1750948 5042135 3225648 871866 6738794 17048332 4937551 3535872 403630 1690508 2740911 524471 665792 578597 958211 938072 748493 1470893 494160 2565221 2834612 9694865 4632561 1443008 6813462 7-hydroxycholesterol (alpha or beta) 2347167 3528579 1161149 660154 11066967 10236767 260588 3839896 678082 566383 1087403 5751930 567661 1698518 722457 10423888 626417 6003680 8556288 633038 14618700 1331828 1155773 2338794 2277881 964174 1053316 1145346 7486537 11623223 4429406 2440057 9772652 1022312 2344254 8520501 2510851 7460715 1109752 4502630 3009997 1517705 1663270 9053550 9846617 8729423 8051127 7927346 11204753 7-methylguanine 610042 711095 433871 147697 445731 1077686 258344 439801 375825 4203416 178238 455292 191940 852389 514632 467634 314875 1042444 337893 171243 785927 1547537 147565 1311766 1314766 36188 27350 21049 49870 170922 31747 24746 24596 29910 8,9-DiHETrE 1452743 2377301 2361009 3052976 1143187 7273606 2091687 181585 1592734 3616388 534359 338511 3566844 2244277 4960117 2654404 1934923 4649055 824737 4090699 1334683 2346129 85338 4340372 1190342 607783 451484 74095 127497 262104 346426 357550 186638 186821 153927 417355 165804 550500 180367 339959 380933 97037 237422 153322 41415 8-hydroxyoctanoate 393497 427629 114291 138609 327212 511234 198944 123123 418513 206652 145621 251008 269341 222312 457778 168215 367323 174552 158939 492448 485446 198641 220715 435523 564153 608886 303625 1723454 291012 846457 1164163 526884 759483 320976 572866 503924 689392 359187 2153734 1688757 2128826 1103934 1795857 1800370 9,10-DiHOME 1131595 1875633 1098562 1460011 726038 2692331 910023 6183631 1713137 509517 1078132 2094277 1820411 2245347 408135 790562 1954290 888671 944547 2949770 778071 1223272 8848470 851179 1055758 2081029 551467 1150109 1506363 1396778 1341734 1626125 3246519 2528660 2829698 612424 939483 1606762 2092414 1354204 3104054 2770832 959877 acetylcarnitine 193294704 283684608 352891552 857718656 487388544 375965856 388472704 690343424 513281280 303589152 418356864 327114752 244061648 397838432 348543424 639723456 455611136 323878432 385224960 436426528 560693696 260915504 752757568 358924992 492940608 445819648 18961640 286809184 78470696 98945552 84926008 57908756 328055168 143698000 33313024 204909616 295679072 75222064 78872224 419957504 312571072 1172089600 1178310656 408871488 340616064 64211376 16061430 1339251200 62612896 acetylphosphate 196855 144035 344403 1129093 2455293 836513 255906 3482724 807420 2303578 155861 888748 11975684 1520104 789503 1273419 774537 395432 761885 1191381 2149761 672247 753146 14468654 2530048 5880597 4214022 2866949 9349404 8984824 13919229 6706176 5929710 7878667 10296158 4568105 3753658 4843595 8636020 13604133 8171554 14049597 24119058 16698766 4658512 4808993 6541421 6032095 13331403 aconitate [cis or trans] 111828 178870 185856 123513 226816 152988 189341 843713 373260 163806 54367 629226 87292 140693 167743 74984 232278 174826 479974 233424 255353 90142 427536 169649 492468 376811 adenine 16641077 18192696 4924896 8609815 13723902 23217458 26167286 6459465 863341 4317405 4741326 6489972 7975947 2388692 8002440 15184589 7432144 7869051 19180412 27884388 12679985 47043808 14962111 8216853 2774737 14906179 16238603 15526951 11490313 9853978 18250236 7716801 14508062 17524608 14213778 45942988 40073916 7186224 15489183 19566330 18996494 12285615 22337164 20214356 36671588 36583560 48869092 52319664 20474744 adenosine 7021046 9076568 7645767 9939635 10382356 8750773 11525365 3409374 942657 5284036 4319343 6346765 13223885 3005813 7017690 7514530 4899474 6625281 9026833 13358939 8902139 6930743 7061624 7886576 6370274 8929287 18374250 18338290 12080167 10816759 28330020 11045375 17730674 20334572 21693504 19394068 28091342 6073458 29701088 19620738 34333988 14821205 47968304 34977944 30718362 21525084 16954420 22223804 28182676 adenosine 2'-monophosphate (2'-AMP) 2056281 2835909 6626138 22333416 12283232 10403311 8255402 2588617 236401 5042366 10031601 11427322 36966400 750280 7007294 13821450 7473187 11746186 10788007 6721223 8462921 4385055 13224445 6659109 1783975 14528005 4293381 25634672 29647160 10899014 56520000 16161102 27200226 23638364 50038496 33750576 50946160 16575722 47675988 40977504 36130200 42092052 50936740 25212204 47634996 26815572 33552596 52124304 45869688 adenosine 3',5'-cyclic monophosphate (cAMP) 36247 21740 21188 106908 14649 27584 33484 81330 49390 194940 46363 34559 59652 45536 101229 137737 132372 95448 154221 61682 111969 71820 59172 112261 81469 80257 100491 146448 124450 145149 adenosine 3',5'-diphosphate 54209 265059 145981 87006 35545 90573 217302 624869 34012 65643 54906 32647 92276 46417 95316 181957 40585 32406 179875 687084 318749 1011869 463850 525183 261357 1268701 484936 383050 66179 220256 1982765 337971 821282 1400326 400088 558565 112958 799689 730193 458627 adenosine 3'-monophosphate (3'-AMP) 1416830 1827085 10122170 9341979 17854312 10190410 3838486 10569339 5529627 4716449 4808779 11944643 21444498 1516420 5374294 12172927 4144185 8666959 4758503 9869057 11781695 2073480 9503500 2695960 6212698 5011008 21319198 9240020 8611515 10454989 12838889 10557833 4455326 15463625 4872378 9200633 3875201 23505850 24159206 18280336 16566197 23505724 18485114 9095481 17017716 adenosine 5'-diphosphate (ADP) 222516 234437 425138 170865 1353775 430731 466479 862419 575557 729808 292085 629344 140702 1165507 1079490 1011233 1021540 819718 1071743 568184 1017595 1615125 609116 644469 1445818 883646 1546617 1101335 adenosine 5'-diphosphoribose (ADP-ribose) 1350242 1870371 3760758 7827685 121615 4163476 1838954 831822 2297062 1881818 1125122 799003 998589 1880494 6049259 3271228 1544887 4250753 2138957 1369593 2459312 1215289 265612 577207 967330 429608 838997 531341 636699 743140 703411 775465 143072 1045815 258940 557155 912736 522393 678892 530840 140406 725424 486714 adenosine 5'-monophosphate (AMP) 2744355 3739158 4964558 7069941 2457438 3667197 2395477 932254 194037 1759619 2710962 1701083 16672709 742242 4346696 1872098 1687202 1999741 2034274 4607606 2417878 2248894 3434761 7768190 3678496 10854170 5587720 3742406 4084846 7639800 2336563 8863088 11267736 10690382 7583821 21184916 184586304 13892435 112670864 75379864 88509464 18082194 10618379 9274293 9752092 15556292 11441150 adenylosuccite 2132048 95389 21987 28010 287755 5050063 88187 289457 2606969 1257701 286275 1598526 430754 5865857 4111040 162362 698506 312026 3399587 2905756 6479129 3585023 29785 783057 447108 adipate 1958410 1648889 1871138 1406157 493156 836887 1776215 716776 737479 1979809 1308462 1383601 1402237 2253643 1335783 1207759 1209177 597866 1920459 1169129 1530030 1087131 1861258 2862569 1720094 959573 1567459 1969673 652163 1729679 1152555 972367 1441682 995547 1129032 1592884 1179811 2034277 2148545 1265671 1145626 1559827 2257164 1182938 835177 1546915 1605503 1941909 3314017 adipoylcarnitine 7847762 9087260 546943 6466834 4680152 752700 3995983 204512 814953 1697840 1884989 688575 20150208 1988645 677601 5094465 1832148 868193 1199951 4472420 2987171 598978 10179175 38397728 10254286 2138959 7592613 9949874 2776280 22079892 2996106 4899074 15168693 29480820 4743756 29572668 9385304 18167384 4946573 17888988 15646601 32598224 32691372 6263777 6162774 11487028 6171416 14215057 36419012 adrete (22:4n6) 339289536 139148608 123930200 172371840 23637316 251728240 80439944 31468410 31508400 54161080 105058592 63199024 601846784 356845952 117825072 185102128 133126424 52815820 132957272 166166176 61938048 449656960 84386688 58675560 136853408 788919744 268017104 111789512 8171848 37970260 107099472 152062832 146992064 288489216 348575616 107860320 126311544 67378936 128190976 58943260 85430008 119433296 214330816 55026128 88771152 216018464 171441648 100177248 63807740 alanine 1771113856 1893824768 1960589696 1823739392 1314704768 1671909888 1588791936 932600832 1057852480 1192581632 1599824384 1373782784 1711863552 1747469184 1718805504 1512660608 1527512832 1430007040 1481907456 2040101120 1451904512 1588405248 1559263616 1540267648 2179990784 1577014528 1416524928 1670216192 1332661504 1278456576 1418108672 1243234560 1572826752 1592534144 1499334528 1844638208 2055579776 1454520960 1725829760 1727325312 1441609344 1334077056 1381905280 1669453184 1837419648 1712155008 1442564096 1925368448 1496910080 alanylleucine 3327344 3955813 4126459 4501714 80986 2402467 7219774 1150299 15649246 3103369 2591354 8193148 5391945 968744 7052927 1430565 2184331 2841957 586090 13697161 824307 784213 1479638 8623033 201010 6762587 153273 298943 1757533 868327 445154 1630712 2012945 4100368 300708 464692 370675 270206 781883 1049610 413551 1388782 1053737 607635 7189756 205744 allantoin 1342096 1785562 1284460 1433392 1153076 673658 1370704 632399 451260 1030616 1271484 1155977 196071 1300460 1019398 710890 1237289 521208 1142391 1332908 1365462 728235 896958 2824796 981698 29906 138960 437916 629109 276487 424832 772362 54501 65713 alpha-hydroxyisovalerate 1043119 1592288 241483 504212 2005132 407093 1445009 7113382 342004 482276 2639200 514987 1860208 619042 433143 509966 2662521 266213 1672533 772248 3972309 127604 1521450 5133516 164899 322111 208694 433480 338440 249684 283375 195178 alpha-hydroxyisovaleroyl carnitine* 707552 883914 1809455 3921908 850002 613849 754318 228843 352232 2366542 1602619 535818 537145 963448 469253 577829 2056859 561247 447503 1521696 2371191 582266 1107040 10825813 572108 755947 945068 3454994 1130015 3355938 1949145 1842120 1593759 1001764 7621518 5495997 5650407 3795500 3291516 1401915 2860882 2178837 2950536 6008386 6493147 alpha-ketoglutarate 18410968 24323270 52014580 14837012 12700814 11033557 20955968 1738511 2518487 5089043 20677294 21796162 8577299 2649010 18072228 13073652 11373370 5268727 14724210 4593754 12898759 9252949 20009824 7147604 7262416 7241199 3591389 5472185 1499162 1873014 4609499 2173717 8899683 4279843 10584270 6383916 18159652 3734855 9823906 6903686 4114155 9540014 6039330 6018758 8899093 5402451 22927872 10509568 12150534 alpha-tocopherol 89690288 71700584 260480880 122625760 2909098 4098044 212967840 173023 124861 255851040 93254608 130969 101543280 30361760 141942080 9337248 18697088 8480625 5787851 108907616 3044025 65442940 96666368 124876584 172382928 39282800 83486976 50961252 1236771 3766627 41559592 48348680 13809531 67757936 73087088 2323483 44390144 627650 56161904 22009412 52687160 50173504 54729672 17137878 16340917 10646819 8777120 8317318 4731096 andro steroid monosulfate (1)* 101106 95321 319593 98554 37144 418182 3151348 476499 489497 2143446 165280 126532 547215 560789 2282041 373606 anserine 411118 752884 17359504 189495 428070 1261363 832411 77148 596230 513269 90883 744914 417295 4686515 158017 664830 403612 257028 317663 753313 195177 94061 87483 314095 293482 83834 525814 994491 163776 anthranilate 3459143 3862275 1588986 1213887 1256798 1959605 922317 969223 2689431 579363 2699299 902035 1139772 15153682 2766654 2150147 1377306 2447099 1172263 4527960 2602230 8431299 1657148 1742381 32946384 1621635 3503286 984323 2830399 1088407 1273004 1241224 1444174 1394870 1562905 3274738 8011189 1755415 3424131 3754027 1036709 1470612 1542679 2074661 1499276 1766319 arabitol/xylitol 2506234 2599428 5785456 7861476 3678587 5051759 4261368 1178521 744819 5396741 6805794 1278392 5020857 2405382 4476643 4044629 3631273 2173090 5110360 2900047 3548450 3036126 3968491 5051738 6695093 3401030 5571598 5712521 1643581 1494923 5333818 989839 8290032 8234457 7595935 5264363 9369312 1817830 4570567 8048691 2455440 7251418 13771298 6052455 6841547 4758601 3880659 8984464 5627423 arabote/xylote 5247868 7057235 6257618 7891473 9751306 26813950 7667118 2188966 1658553 19968348 6623706 4004990 5543288 4284382 21192164 13087628 6448272 7879828 5627937 7883409 9599739 6055067 14786007 4932252 5436690 11837480 24334712 2035236 3701033 4808251 3572699 2338877 12475126 12126590 9995774 7806411 6775846 7126205 9506430 20039192 10841778 5114902 5863941 11688523 11170201 16749975 24751364 18979050 20966270 arachidate (20:0) 100345680 53005312 29177916 45847116 13328147 39300688 26275010 11963311 20821804 32855616 22882868 15169408 79319384 44359136 42694528 23307934 22561554 16661691 27459512 31692272 17619382 52142480 24225528 24946864 45133836 49616120 32278272 26824418 13030152 15895805 32368208 31626498 87659328 29560716 66147500 31176712 42478224 18115044 28999200 25423056 20734744 41948764 30507278 22491182 25261890 65852032 39701880 53220740 22574584 arachidote (20:4n6) 3273524480 2387148800 2066399232 2190509824 543461504 2774971648 1534783360 238326688 398230912 771779648 1994641152 801367040 2640712704 4874658816 2014743168 1958397184 1583275136 1121189760 2074684544 1893538560 1205366272 2062618624 1420030592 423608800 3360781568 3097328896 1217150592 1076370048 236285328 288376320 798404544 1246177408 838356480 851666944 1538510464 582866880 701738752 534740960 927466560 1038365888 855178880 862777536 1008202880 382710304 710488192 697203584 734575680 498702240 413785152 arachidonoyl ethanolamide 2049148 1862512 1321620 2602512 264614 1907767 641443 202746 1205949 1535007 278450 1200977 2713455 1095039 549444 900160 1338096 668245 687989 1578570 879300 190408 12558433 496513 232613 173525 262749 361284 192121 126320 434190 186915 702821 272964 371998 1767053 520445 124045 arginine 425401216 428198720 327791904 344189536 95984416 361395232 221222624 907379008 374329088 279856576 239102176 82331544 788232960 386531872 283585152 163622384 763283392 319181632 467627744 206920352 221827728 242922320 203771232 495809888 319085152 581265088 95409600 591906304 104475728 69436352 286842816 238578128 245301616 199306496 398446784 316562912 660877760 298176672 275270048 112286848 125077056 382234016 247216224 191921872 244332400 579303808 111107808 313287392 146526240 argininosuccite 7036103 8088284 10949563 7314831 2086387 7442505 3288350 4599322 526151 5118420 5783718 930511 32056312 4822241 10081042 1929857 22840784 6472721 5128067 7689354 3601039 4527920 5750087 10152787 3475975 12072970 3900648 12454300 1026829 670696 14692691 1766983 4799818 12094183 13536119 10365940 24187928 3405785 6405924 4271992 3029361 6346406 9638179 11597532 10848250 27360372 6924764 15808578 12703324 ascorbate (Vitamin C) 1261941 935832 25235890 113320416 4636293 29697510 5421596 3497366 50604732 72229048 68682432 769632 33772688 47241428 23571806 3432724 15990124 98026688 15135207 47160388 43106008 167374688 25615396 71120680 175287520 111284984 1815575 11403725 4942285 59192316 12386439 212938496 70654384 19357092 206345184 80533808 18342200 11578080 29420068 60290532 144832400 71562192 20092568 11945015 30344914 12451928 asparagine 435001856 517460768 463500192 778389184 529751680 715668800 381263584 176700672 167938384 332796896 649804608 392978080 907430272 448064544 561630656 585019328 662208064 551105792 579810624 614750208 496631008 147009760 534765280 688934208 1193545600 938065088 733816064 657309248 511508160 534488608 552987328 517606240 630563456 824114176 689062464 752216064 837658176 541116736 718113792 809371840 589011264 639179712 658861440 540596352 675410240 1014558080 690065088 907422464 688582720 aspartate 254122336 277104960 280771232 367846560 673379456 495526912 248062640 299324672 153255680 351574432 342582336 374032256 733036992 456764224 378924544 494362432 435323360 421659584 485579424 352776192 408798208 268166384 354061856 680552128 1127917056 495062208 787261952 506247136 575924736 659595456 582248320 584169344 649245376 1160625280 455303584 443007072 525947840 519549248 724309504 766308608 1162376832 692122816 619445696 1637212928 856517184 1086551168 503138528 363839584 1616430464 azelate (nonedioate) 1508846 1621275 1468820 458141 885106 2209755 804466 241477 451432 924301 571752 936364 1012070 522109 591447 870582 216532 822445 1145696 393283 1239768 1116497 1115838 2451095 1932721 823453 1122833 1099949 1498393 1775481 1791677 1610701 4531075 1417514 4539056 4837637 2916877 2491543 1056782 2110330 2024259 3112701 2624922 4132802 3558116 5550699 3392208 5485122 2958319 azeloylcarnitine 139005 146185 429615 224176 225309 669134 325359 660670 128908 687735 179148 134567 154554 487364 409411 492215 838406 179146 307711 243417 262897 359624 339131 136818 439442 787017 behenoyl sphingomyelin (d18:1/22:0)* 120429080 134744912 124097856 218147408 118347560 119188928 111447712 67559056 29765968 122818960 121348920 59952200 124794272 111479992 167079664 96981728 67641744 105361336 108091896 130761488 101457712 122411984 118417520 87270144 78024864 94894992 180169472 111629056 80562152 84233368 124644608 84156736 127981144 187728048 172339984 138772432 152165824 66464716 182332352 185939104 103343872 95415768 146385040 139905824 169572976 177214672 167684704 164365008 157197888 benzoylcarnitine* 704809 667595 17720426 1134571 4462078 442213 810207 4293752 15803279 5025228 8455506 2498355 11146528 10958311 10527713 14526742 20686764 4676642 467195 19245114 4758219 2479934 6372860 3155016 2944342 8140645 17085488 26512794 19518688 8553159 benzyl alcohol glucuronide 208613 106687 198402 980017 53262 4427678 37288 49347 22747 211878 546186 3814403 741726 beta-alanine 284221152 293334784 328333408 493558368 363555104 437666848 402894624 69139624 83136192 235270448 544235840 225358832 128692488 184666992 307333024 324800640 356331200 336943936 413122848 262329840 415568704 327607872 342383360 171464224 233140432 163566480 100942616 181590800 125869496 101736376 107218912 123766360 181235568 112356008 118944200 245567248 242703376 184475568 157890464 119663848 130818792 138613904 60268796 94939856 118822944 153896320 92615424 204943520 85532624 beta-guanidinopropanoate 1387215 9840530 24692620 14306313 10373888 3129528 2059041 4793279 1025703 22356914 8523795 2399101 6426781 9882174 12130486 2928109 18197120 2222464 9657701 2314274 2353121 2997983 3485853 6452979 10522130 18389004 1072420 33646008 6259236 21763846 beta-hydroxyisovalerate 831406 993866 475844 607849 1835739 296886 267346 828233 7143150 564171 806983 1069437 512008 2401685 1063469 676078 296355 801867 348355 1378061 783486 3706368 490241 532377 4402068 1008317 378460 288180 127503 154960 143426 405035 130828 295786 176996 436882 344046 439458 576602 417874 630848 389994 171493 260790 338486 305087 187992 288341 beta-hydroxyisovaleroylcarnitine 5028447 5941976 5342612 14634479 8260728 4030513 3413737 2470292 3164062 5465268 12443914 1858690 7376559 3640023 33108944 6777499 4747795 6062671 2636310 14562294 5055525 8583502 9489415 7593718 68682080 15744565 9794607 8705800 2479387 3800488 4077037 7447168 6076431 5654961 3614461 2638651 3543228 2803386 11881120 16480837 12124360 12012570 12323761 3185154 2902002 9600502 5087268 13265910 2928402 betaine 3917470464 4300553216 1836212608 2876156416 1385537536 1402251136 1890069632 506633792 486469696 3916638464 6108763136 1253273600 1969371392 690074496 1449108352 2704829184 1685715200 2098271744 1759522304 1621776256 1958086272 1747326464 2945186304 615208960 3625083392 3388035328 1086848768 414946432 284861984 1413510528 390298016 941025472 543419072 1011289984 663465024 739837056 779744768 274641536 912615424 3223142144 726284416 1885377024 1605093248 660352000 747067904 769822528 632745856 769499904 1852178688 betaine aldehyde 1951006 2002799 2325129 2573761 8043075 4477098 1774304 541179 708104 2762496 3045367 3324333 8825701 649507 6104798 3312501 1177734 3636328 3027738 2528397 5580056 1268985 2016176 1437593 6654488 1283092 143361456 854748 6209636 9548795 3923873 20515240 7894782 24417206 11265409 1564651 5071753 5474450 27738558 15157150 19544556 27806124 4307752 9108549 6605347 8329790 57480592 3782013 25322674 bilirubin (Z,Z) 1123722 1428376 295512 831271 700676 21770412 198361 15262500 12826074 6421925 898942 12138524 4645340 9735184 2887286 11410197 571348 21636504 98218 7304009 1203292 703766 1713928 1405586 735632 61701 7225823 712410 904640 274750 158409 996843 biliverdin 2633191 2660703 1513356 2665657 1366112 1326026 1605588 1602206 1506850 10755666 2540007 759265 7142567 1415689 5877062 2726550 17485298 3949922 1172376 989404 1501847 8963596 4257701 819602 2855834 8911278 1005482 2346387 43809 763225 553793 716545 92306 385185 646676 103244 888570 267651 144881 370941 177763 80525 biopterin 225055 255120 521660 478504 137110 121658 367882 432217 242104 704136 720591 613469 359005 223854 659443 102226 681158 357829 576700 227540 320118 1576809 686134 667256 362396 282055 634150 719136 320219 618469 350063 632780 1053987 772034 79537 562993 778858 912020 494432 856086 607947 811967 765333 993084 1077743 1429000 butyrylcarnitine 5700406 11329965 8673660 14313526 5641722 16307248 34533684 128963920 29579088 15254118 11928581 15107009 816845 68121272 8800866 17869084 27147144 14675238 16984916 26331470 16019105 16016962 18041672 12535642 80257168 5335631 2854581 6477626 3624512 3974723 5379450 6160416 6435238 8794564 19448048 35692144 butyrylglycine 1614600 1786311 1810039 2223301 2227591 1845233 1512966 1198610 1164144 3401377 1857620 1866573 3630156 1466477 2764915 1703761 1241827 2484001 1380192 2071441 1793420 2210215 1524228 1598974 2184418 1812712 8832295 1315856 2294847 2948723 1726756 5767152 2251067 3591124 1994989 1997191 10244233 3014933 2663860 4127453 2518603 1948812 1379452 1468803 1394865 3454473 2724242 4435145 2012961 C-glycosyltryptophan 5664822 6988843 5491017 10994348 9247512 8846015 6784767 7626330 4783727 13222805 8331367 7758345 11555825 4402105 14736796 5725516 6938917 8476846 8453740 9084575 8452736 9073882 7576792 8943202 15084817 9177573 11424728 6578135 5020729 6326414 7111106 5901784 8675220 12016879 9511576 6960344 12712079 14490461 9025178 10404588 10681115 10176278 7417574 9608377 cadaverine 7378736 2841628 1271944 1167275 276961 604504 4428575 68424184 997041 676027 284580 880691 1526414 415671 278341 392555 4094276 359592 467728 668803 280053 caffeine 834391 5872387 12774987 4401198 21454384 6153953 3463215 461563 1609271 1858736 11802611 11921697 112966944 21325458 11700775 120993488 1893321 3060377 caprate (10:0) 24689950 27988684 8701036 5050669 3184065 3598039 14404614 3026048 5537118 2601906 6030925 4710484 12056756 8889431 4820306 3320972 3378545 3674537 3597975 10326378 3121881 4459043 9792390 4506642 17273072 14842340 4969387 4994849 3017218 3073044 3518208 3829185 8008494 4306556 6800605 6958787 14264742 3742596 3932585 2679238 3139997 6687026 3050724 4002465 4177154 4598718 5884480 11661943 3945683 carboxyethyl-GABA 764570 532133 537460 967545 213799 151977 1612325 658746 488870 7831388 1609025 908685 643880 529030 950552 3561160 649714 863597 679190 478145 1434897 1241251 1279363 2324003 454880 371617 7726921 991302 825707 2695040 1834998 545945 1713009 403537 1447059 548986 737575 2972188 861272 1539580 5328314 1207820 4119079 3819933 2810787 carnitine 1557428864 1699944192 2821761280 4141062656 2996271872 2376977920 2978374144 871703616 659625408 1901168384 3729125632 769282048 2236351232 695877248 2509806080 2820022016 2033284736 1613065216 2225474304 2637300480 2485910272 1012357376 4846930432 2214252288 970072448 1672612480 1627382912 2270260992 2191550976 2003138688 2849726976 2169436928 2273205504 2779495680 1900267392 2826099968 3295785472 1249232000 2205355008 3076371968 2938116608 3511168256 2553952768 3167356416 3549694720 2520524544 2183206656 3477414400 2888660480 carnosine 3691225 5996439 46902872 164068 616977 747279 9385286 1338886 435833 2479624 2451264 376628 227082 5866432 744306 484073 1282031 276915 858101 10223329 1059937 5134204 1342887 614395 195396 367007 276762 28859 101828 127316 196580 26181 281372 176087 302704 198038 209907 88510 345963 93623 151545 149716 63594 155096 263392 179096 276183 catechol sulfate 39407 85164 59499 20594 154625 52613 42205 107134 80621 394511 21577 21294 116139 30831 35637 26645 22884 30269 21242 17397 chenodeoxycholate 2432061 2637468 4872497 137967 180571 1222997 130614 92371 495180 29109 43794 305898 285175 82568 189887 162725 129129 837879 75855 670957 258199 69300 66398 190690 251381 94131 76245 388957 122644 122710 74771 57086 101914 44520 cholate 7245098 8781127 5494687 365808 46696 123922 1752888 33688 160172 606672 1218816 44994 489903 1812785 171319 31376 933656 138045 1608477 91890 1282483 1654407 115231 66807 133459 164895 65303 27776 157787 55310 167018 301141 72509 146725 91094 73406 102746 cholesterol 170766208 183163360 169035120 295283136 161355216 184338496 168658512 138860752 129480656 180973584 175742320 131196896 232266784 244711888 219683872 180913920 170350400 247391584 184323904 152427664 148166848 218886976 189979520 127641792 254067520 149515648 213126304 133182680 74477336 91665760 102403880 90311216 164059824 174518368 196193296 136298144 146010992 83766832 131008352 188536512 132757664 144743152 183533680 108109760 163366128 169058672 142167472 144844432 129910440 choline 1845459968 1869977472 1737680768 1762246528 1346020864 1916604288 1389600896 816350976 791563328 1527003648 1572305280 1076628224 1826984832 1095789312 1631899648 1306500352 1342688768 1106173696 1378490496 1942385664 1783790848 1236147712 1208871424 1634186624 4120592896 1367377024 2533063936 1205142016 1042270464 1249956480 1087583872 1225351168 2021690624 2033876736 1856214528 1172282624 1696425856 1343619456 2291227904 1633387008 1422470656 1859988352 1945436928 1590295296 1659460992 1760910464 2103581824 1640057344 1876336512 choline phosphate 285605440 405536288 731282048 1392525312 543467456 977620288 1119265920 288004064 121068440 668723392 2216331776 540477504 1091878272 89151920 693883008 823095936 792248576 646691968 1022854848 816026688 573813888 401325984 1483573760 848415424 190996976 521824448 1369393536 475858272 273163488 1130253824 210750032 883089600 724505536 923378752 888741312 475701664 882978624 274330112 744204288 1303377280 2508148480 2319390464 1466172416 226285648 412272320 1453304448 541572224 866077056 1554739200 cis-urocate 488114 399999 5169037 874994 359746 2660412 632240 2403696 2556846 1039286 592775 669530 1366425 1152834 425532 689017 1010880 480361 1390659 459694 1784996 427804 2226838 1009753 9390409 1464016 478104 403108 255947 434541 388719 628097 544511 1254520 11824522 132377872 6742360 6125672 99089808 4597601 447837 857089 445800 397486 730558 294757 1057067 citrate 176777 200868 600618 504905 904518 479198 206947 1235950 14119699 454924 686894 841382 1336202 212014 286529 649045 225570 520636 335565 179994 586585 218574 702566 621650 239753 900624 616233 456994 295198 306253 799582 474639 1054930 863852 949189 839994 796905 456648 436861 698797 529502 831393 1212968 842082 1195358 665496 1103687 3182154 561571 citrulline 46879760 61148652 68625472 46891344 22844410 29748314 19848012 35085420 136408368 28947060 18529300 19169504 68676880 102765312 31374382 14462300 22740278 28496410 17474382 25380804 59693928 72808912 19912726 21988054 110671000 17754062 26475184 24189718 44194640 160102336 18161756 59110892 8655337 25761110 15858334 52749408 30855690 77865304 29646044 56832472 41883352 58287340 13307316 14809027 16456918 24690948 22896374 25880412 16712467 creatine 1578142080 2062555264 4512165376 2967951616 3545913600 1598638336 3864076032 2810989056 2473097216 1601174272 3571642624 2153968640 2607885824 3132811008 2339142144 1726533248 2363901184 2169336576 2065207424 2739691776 1108660352 2653462272 3753355776 2829573120 1981519360 1073218752 1744347520 3237460736 2157363712 1892974976 2225821440 1793748096 2848288768 2071869696 2899973888 2411444224 3384166400 2570253312 1778462976 5279587840 3523252736 2061528192 4222033152 2777190656 3842613504 2654917376 2661516800 4013450752 2769277440 creatinine 278798368 352993952 594200576 333944000 515391008 296180608 379085536 353205440 279351104 1265527168 400388288 323529696 287954720 407759424 320509568 325845184 323619552 489175008 357648224 1031054080 379391392 406839168 356176480 206064064 517643744 511944896 157069472 115384384 51104216 68741440 65885320 44679756 229099264 190383232 161241104 98303576 229018640 74852048 120901296 435566528 136883344 323382784 316738528 195089376 258439856 213894016 214269872 365667520 168948912 cystathionine 105242248 110036512 99849856 66743580 79728568 286898272 62505348 23843796 100262592 50576932 64480464 39402336 111229632 189370992 94612512 123613768 57981436 94995520 112095464 151755392 325686688 895951360 71626896 165047424 68862864 34820300 61404340 88334704 55035976 89381384 37166952 130686352 56193424 97885504 27555364 138397600 199584944 86851296 156753536 194553008 171718864 68827288 75274432 55199192 100252912 76665104 67138368 220433952 93586648 cysteamine 357952 303116 592077 607016 533311 1049533 331179 127759 95258 690663 137190 279759 283871 394124 476459 404673 1085316 211659 93678 1162074 128510 233307 266430 140086 96306 122047 340200 88513 170748 136668 286221 222978 389621 314948 177080 cysteine 96382880 120145776 174424208 635267648 125920088 288227232 24609974 26830048 14823116 325648192 317952832 58945568 568867392 60302872 531265856 384182656 402352960 173871440 208514816 290338144 241277184 332863264 488766208 607923968 430124096 264761888 262454656 850336256 75483680 93886560 121228512 240343904 195780704 629864192 313001280 162287760 322926912 28919962 308799744 658879104 174994112 956493888 1056327168 315413376 193256800 152893568 96877736 381548192 184715456 cysteine s-sulfate 181889 179898 84360 267941 410103 1068536 185054 239109 193477 333876 119812 65178 383818 1022957 353939 381974 497545 73827 601106 113040 280041 418935 637416 48908 319820 87919 80200 47445 191478 150355 413396 264632 144996 183440 457100 2902399 976744 567347 210226 150652 138988 698874 414378 cysteine sulfinic acid 1021333 1184864 380730 1134382 2431646 3352485 827466 886438 2476735 816808 1206383 2228014 766864 628039 796764 2280308 2870557 3040426 2431362 687570 2508118 975198 1093953 1372872 2086968 634377 596126 560455 1477787 1318969 556413 724816 1209668 1266279 624553 1400602 766790 1930227 1201840 5198478 1401979 1490032 1450909 1384945 1126384 1618197 1157500 2378859 3310418 cysteine-glutathione disulfide 471993 956586 88593240 2006467 82593 467848 33033664 25207764 19888588 488371 125920712 519713 480844 467460 366634 63705804 1509376 206630 44755216 4162242 63345352 15987854 91722344 72316184 68735920 43604288 85012768 590267 61920340 21428874 31661528 362872896 338380 76958448 3219790 2252147 1877201 116252000 52253744 203434992 83132528 119446960 43388400 234999600 cysteinylglycine 23814086 37933768 69956856 36347448 2385339 17638036 18896288 5448337 8427778 30728258 9035323 12354988 21342648 18503372 16114717 9966670 16346906 15993114 21209184 54421144 71773184 53120704 94299560 4532156 1906184 30533600 13253478 52129624 11331209 17578896 26312978 11423125 8338337 14011484 34383024 48964508 48312032 4626336 16209027 7861962 1534330 4312063 52009824 26000972 31706704 36048232 30201344 85705352 40603216 cystine 564489024 610764992 519764480 738175232 99065000 180710464 27337530 3574965 93988176 515724032 742455808 73346952 43465320 116453744 412880352 118011176 490811968 238408432 307116608 434226176 142665984 83769800 474669376 228115744 263949056 20223818 179031056 277252480 54711328 31772068 122795424 79168520 159459568 232262976 200271312 274127872 270434688 155590416 201392736 539302144 417055744 299591040 42802468 10378982 42191280 106648256 42215028 592805312 201867040 cytidine 1001747 390875 2170060 11922438 5757769 5491092 1620142 5060071 629044 2431691 1440171 936283 2742511 21799706 6804846 20206252 29201704 10417847 106975016 7990462 1095044 12984662 2349220 462441 814200 1932083 1920175 1024662 1245691 1496017 1161638 594468 1563305 1464485 2003848 2164908 699371 2153262 cytidine 3'-monophosphate (3'-CMP) 6877679 7591297 22626572 22347164 13836561 44995772 10634751 8646088 5316060 20675780 16035688 9478655 18251104 2415104 25004180 31319084 19465216 27659678 33569732 16207986 40902864 10351683 32021300 1865559 5033304 20145190 2957366 9264917 3225268 5593913 5116040 2417264 3191564 3902888 12790925 4779673 18595608 3802215 12149551 7215151 3978489 3059977 3297577 8242255 11480916 13594367 5702749 8060840 6997007 cytidine 5'-diphosphocholine 889209 1173770 4486376 13620847 5594737 6212980 3595653 12359375 1428567 2408377 2067130 10359680 680853 4768594 4034895 2691559 4268789 4816161 7545617 14430215 3594792 5935079 7807700 357720 39965328 18848696 10849541 7479683 13209804 8664903 9263573 7776051 14703238 13554285 15154090 21934320 4611838 13906080 23775410 15209349 10088946 19798766 12452354 7968138 20410372 9997752 11600343 14937223 cytidine 5'-monophosphate (5'-CMP) 359972 414194 869067 1709550 1501458 1062546 824424 827648 844632 297536 479967 2091199 11919348 148743 738628 869345 948667 1205292 928154 1669360 1270888 1161905 1408991 7031170 1106454 4041144 11824187 2222675 4071934 2650822 4411753 4022274 7612411 11964162 8896021 2394099 12518229 6395085 20794472 10948251 23926420 12610403 15631963 12763153 10759409 7566692 14191133 8464692 16367216 cytidine-5'-diphosphoethanolamine 243913 329929 1486346 5089642 2697789 2155558 1480524 4831256 580748 751619 573142 3747726 16844000 291485 1389581 1462830 875830 1352852 1880584 4712047 6500589 1446511 2208804 9256959 151844 22949828 10988810 5930530 4757293 7459829 7006777 7022148 9392117 11117311 10324718 10825234 24352936 2100041 18041812 18244452 15478019 11808983 18629764 15234054 12087840 15730034 11671594 14341160 18384476 cytosine 607089 666445 872901 914470 474472 622915 2640617 438830 118885 443534 1135202 601219 467155 7436881 668289 280371 739793 1030627 732938 706117 1280618 293488 163649 661226 689410 232343 204868 285616 322035 252976 320971 302854 183100 248120 307803 157464 282832 643186 373721 446986 666922 289700 279612 372203 357202 275268 403969 decanoylcarnitine 105829 1165419 5513571 80594 133963 392555 76789 108273 561751 54419 76371 109937 89524 73321 48524 115283 44479 133872 130192 280188 103430 309109 145654 dehydroascorbate 511146 554608 656625 352093 1843755 1348968 1367023 200788 48709 203803 506865 462525 591875 479852 132855 572600 403755 421641 1226918 324527 1224340 135103 646798 815311 68520 154639 1423196 174216 354286 475188 343988 121102 404426 1216624 875229 780615 891462 549334 655754 477262 1048297 355181 775612 1097851 1395171 3631135 448655 2742646 dehydroisoandrosterone sulfate (DHEA-S) 446119 504719 611885 154170 390109 145581 351396 107716 2528632 307860 2578876 91229 681458 305708 173802 1446262 1155937 149741 12364937 167594 203113 79407 379753 122323 379368 387133 37522 131962 122165 148101 139423 31106 213086 57075 deoxycarnitine 126964416 158356480 190007952 434072480 259694528 134674848 403363936 60990336 79114872 289099360 446836192 148307264 982577152 99762280 215471456 285686144 378773760 387571232 94872336 367590784 264902160 611594688 543484352 116215488 653138880 520234400 53780036 34422524 45417484 87232896 64242072 46815208 76701776 98194464 80148216 41219476 103796256 43914832 173481200 47895000 61754436 237873872 106292144 50837972 73245736 189438496 67375200 220958464 80347568 diglycerol 381487 469251 611028 289616 24563396 261291 221719 165210 24189776 46112176 1172555 174222 455533 294381 26773722 178575 148288 11096631 265069 798513 154677 33263886 314589 7093771 473208 169076 115803 674669 1006243 647201 148216 202286 dihomo-linoleate (20:2n6) 529310592 243435776 118817480 148174144 22940044 240377680 89388936 11755129 17849486 166511360 96000080 24072146 601066944 241141456 141091632 142044896 100646944 36704368 139430496 175954256 67829504 448188320 93379376 105825352 298607488 297486656 340526336 157366528 13620131 65186148 154176544 209073504 572301760 248302336 668629248 149535424 314977248 133471112 179596032 100289032 112995984 216528992 228448992 122212352 120272608 642172032 301180224 309245696 132273720 dihomo-linolete (20:3n3 or n6) 713757376 440166688 243067296 423914304 58168096 546553280 254720304 25502520 50078332 210759408 619553600 137687408 656695616 682156352 415024640 270809408 264804656 102043360 300004032 403998496 184122208 567396736 301150272 83146440 504193728 274527264 345130400 222953648 41874456 69907904 212509024 290348736 262792576 209072624 544299584 141663952 261092800 118910792 279010368 334963008 158805936 119960880 304456288 121019640 180983408 308574048 222877296 159675376 209202816 dihydrobiopterin 147643 764590 459935 571016 225629 219812 331961 386764 82228 1116679 942766 759404 494214 473534 570938 87715 1761179 144176 1319769 648292 1748234 1606234 1613805 2338245 1624839 253594 506935 868260 1142696 796411 2370970 1846953 1561683 2117950 1352937 911133 919506 750723 1879177 1888539 1278671 1130569 867338 1464820 800137 dihydroxyacetone phosphate (DHAP) 392713 5936368 1755548 2375211 703500 6574404 9627238 351625 2945239 1978458 788958 2117376 2782217 833923 554263 7062610 3292904 2000804 9275569 594556 3122065 14941829 1797890 1392385 2485963 6991096 2864856 6337933 2712734 576730 3487336 3471717 3888640 1163047 6656838 dimethylarginine (SDMA + ADMA) 92132760 103456632 116884664 121736248 218471568 186549168 41829412 35963376 41892400 115779120 126369912 111113488 337211904 93260304 93857784 214248720 166817152 152454848 203834144 149227488 188506544 92890240 119229032 170136032 178965312 253154096 419303680 133162584 181113920 240519728 200874064 190718400 188211200 369160736 202607040 203742752 199190304 150673616 362326944 332820768 277113408 246839984 177753232 199685296 155556672 442860064 275637696 112273456 275207008 dimethylglycine 102257432 117569888 38622328 33903348 26556616 30659656 28317948 13227043 56259540 60015304 35632048 23266316 43306960 11204726 36077656 30714084 16508816 48254964 59788736 60366960 34346600 31521482 42670212 10323049 64743752 19265688 29549192 6691679 5737256 29453258 4269305 26941292 13734576 25947572 11013314 18775130 40758400 3327447 21687332 89691216 48221168 36807924 30488442 14707827 19981132 16925792 15190094 28446528 19756208 docosadienoate (22:2n6) 21517376 11092043 3837487 7541079 1146596 9205228 2872539 1568959 2802485 5321980 3916273 1788156 34749496 7813847 8550806 4151982 5292165 2618280 5989139 7649393 3819819 18472424 4348841 2735111 8808416 12853864 10108074 4233668 499743 1909914 5986139 4875343 13975752 5873235 13154241 5142128 10634493 2969597 6177511 4313201 4738345 8943313 8495472 3531895 3246578 19655724 10253477 13926392 3842306 docosahexaenoate (DHA; 22:6n3) 1026740928 712656064 774277568 626745280 116482456 501534112 515581120 23407684 85388392 163687584 493219712 152845984 977412928 2096713856 298759360 482540608 417779008 212128016 455686944 558677952 190161328 393698720 292332992 208139712 1286092672 581170560 672622208 274797632 38963556 74081304 225438976 279549216 373750496 267459472 453542368 137581424 145607696 84653832 252132800 197577856 274608288 206912176 260595280 67495008 169790112 132182696 239774544 92500640 86424296 docosapentaenoate (n3 DPA; 22:5n3) 296266848 212010224 152757136 173560176 7223716 50773600 66739648 2889759 10671580 36112176 91322848 17759740 326256608 154626288 63463368 122458080 38171072 22729920 38087864 140905872 12200644 169199856 64264012 30172062 164884096 120859688 152166176 103862392 8008914 23534092 84164560 126890272 98894984 91772360 260117696 43926716 82217976 43622812 52335760 58487260 67678520 115118392 169718384 24443118 48741360 125090864 84129168 66804696 35754512 docosapentaenoate (n6 DPA; 22:5n6) 107348464 72191136 42489332 40298528 14772803 96273352 50890948 7914155 10360143 23589248 76741472 31356544 196068096 198994992 48625188 60095648 93279992 42230276 87956216 82676256 38121048 82317280 63705620 14018643 75412464 165776368 137361504 57986488 8457233 10822386 35502940 85573992 39142996 44191864 106867056 18803892 27576936 17577784 67722856 22482620 39471976 40532856 12572594 40651328 29263132 35666368 13130706 21470656 docosatrienoate (22:3n3) 12180516 9315832 1967765 4360738 8652449 1354194 2720326 2312207 2397475 22627704 7719711 5716807 7041472 1766550 957363 3734616 5498799 2124981 1152894 3222432 2812184 3916302 3783298 9430514 2467777 5849195 1197645 5415854 2596611 2573228 2843985 5216182 9060387 3907680 4572026 2987864 dodecanedioate 270558 313747 216861 211565 209864 138897 354504 131956 463687 97271 203256 227252 653759 358513 204885 224253 68679 158064 201891 229626 323089 86913 351961 966394 906819 158760 2110562 643017 299041 564482 227839 651656 456928 1696406 583650 412287 406800 623215 822792 825721 1020605 2530834 931876 619422 477216 629608 804234 524493 794034 dopamine sulfate (2) 228323 246409 91264 126582 4842525 267351 76582 8568782 78875 363743 277755 5433234 3400019 199774 255996 315484 134236 10357238 106814 298937 481901 14776870 282509 6175779 357864 6010476 5459413 1847753 535053 3676164 2376230 1705642 3625834 1669077 751351 109302 135714 243350 1045981 164878 26551 1273476 1446670 118856 9054708 4272871 243078 996076 169301 eicosapentaenoate (EPA; 20:5n3) 190449392 161027168 213110736 423584928 39099988 79267248 165185296 8651729 61259228 47940864 243136272 29057590 164383120 480648576 145683984 195183184 60113572 107189832 78067920 116096448 30977668 358449664 209876384 35188080 929714944 134176064 60889084 90680360 11657768 15936464 32785272 51334388 66812556 36406016 103634112 44158640 58753568 37046828 48470440 123940784 50248064 51363700 125552616 30218082 45673520 62032852 42581012 71690208 26996642 eicosenoate (20:1) 502954560 229604288 99802768 188677696 14523042 101434544 92778368 12570164 20338914 65778488 62311388 16273390 487898944 246087584 72642312 64786848 47551216 27922160 85539632 134806560 56015860 247766144 78981392 158455936 149436816 143099344 209133296 101829280 10867709 64364440 117740744 161928464 801010176 240756416 523725152 166793728 213329920 139645440 96868432 61408632 88700848 328138848 148234016 92909584 106135432 484807360 232805120 361107232 111592480 ergothioneine 33269252 46953808 93829120 8557054 52122212 15099915 12278239 4148866 3524239 4604103 9832794 4495038 12737090 10116867 11040383 12139457 10798371 47935196 14815044 7638768 16124535 16300709 19285360 34331640 19589002 4747026 28251928 20604628 14166618 6429445 22936288 26844012 26963804 60566672 22694580 22778062 43900700 5783851 21881722 28412444 21087252 12689578 73717608 53070108 22722664 69520208 64819196 138468064 33136348 erucate (22:1n9) 53854684 24447106 12311916 25081748 3543715 12333795 10980741 4245174 8254237 6077034 11118569 3439568 63858016 21461994 14054495 7274095 7474245 6101415 11511147 18007276 7685183 21235174 12225893 10621445 13649460 18375848 20911132 8792716 2252423 6472715 18592708 11830169 36134060 15590065 29184960 10255173 18744168 7014022 11440876 9434795 8846299 21645386 18249246 9178508 9788700 33492772 22692076 27091808 10517070 erythrote* 26410130 30940002 31947648 39151488 43693636 44023248 26745014 28567524 33703312 80509776 35995584 41771396 64509620 38660056 39535196 39319656 28000424 46151968 29029598 59750624 33654792 50360868 30008472 44458580 39446816 99575456 45756380 24892712 12152073 18398322 25310716 12128946 37045008 64184588 98815200 44684340 75995392 8934711 30919672 41403240 25182270 26425624 86746640 47207308 55220024 62901636 41460476 87403696 53741864 ethanolamine 237976 192539 263479 186178 296532 1356728 219854 188157 456642 136707 530644 1555965 591885 244738 208594 200944 973001 551415 149762 211005 9896920 175192 302289 329619 120291 226409 107442 361099 513388 186710 244410 387169 214894 215192 227528 173072 132704 219038 ethylmalote 4263267 4882333 2743898 11856668 3366876 3201577 3263511 4667261 7773210 9960909 8310261 1504277 3288270 2863045 3932153 10029985 8734370 2340858 4237600 3936595 9578105 3163095 4817967 3645016 2915014 8988707 1991818 594290 1404148 2800487 2326310 2052457 5987899 2004719 6836162 4756006 16565276 1050363 2812644 1308091 1281740 3604571 2603992 11333294 16045621 7662127 7997360 15081718 1878521 flavin adenine dinucleotide (FAD) 759409 1016327 1387641 1577283 1031352 1089674 1012158 83979 28387 562575 1192973 493849 1842642 163418 1460633 875961 415741 989431 772038 1506227 856406 685349 894026 1561525 1191731 805494 2328451 1121467 1166609 1512982 1578430 1013054 1483139 2994130 2242024 1643268 1920256 1020348 1790892 3396038 1975490 2202331 2176936 1325568 1460142 1584105 2263993 2493097 2050495 flavin mononucleotide (FMN) 74635 135388 177716 130877 73199 122428 87830 47619 92556 44757 112655 107538 76753 36306 51547 52646 119549 86631 58547 66074 136035 176365 71357 147257 107143 81623 115730 100243 115638 126521 253822 221203 143433 201582 81417 135385 174774 107066 143415 127824 153109 108392 104167 141672 269231 120394 formiminoglutamate 365577 483889 5977339 1846564 418641 1295957 1235402 502331 38551192 1260691 838362 29621140 9142632 72439944 1728458 1147783 2348108 12596595 1418371 122134 588731 2708749 514893 56524492 1144733 1084559 215292 1195879 998101 239936 9263008 5314593 98727 34314720 1340031744 498353696 2324823 47389920 346388224 1025206 5659914 12663545 1973389 2157277 10104826 fructose 905156 814986 1089970 1170283 859305 1109381 1798194 3803108 281395 1106967 1272758 875500 2576708 1170292 1629090 1485850 1229545 1062903 1751367 850757 1207093 717779 858493 1347041 1148162 4769601 1625301 2897930 2829864 1539713 7047885 1543799 5329062 2137720 5279240 3394036 8936986 1268194 1397816 3031287 1128588 1544160 3580571 4509652 9450300 6125887 10841879 5465125 6622886 fructose-6-phosphate 57532 160393 49032 65434 1123924 88344 171865 349596 593492 163668 191021 413709 83976 560344 103241 400739 373528 1633546 71210 329010 214986 521489 408159 118095 548312 603429 652965 604829 1093193 511996 1485094 fumarate 44774168 52078556 75525368 68889768 61196404 75102104 46487576 13588301 8615692 37635624 70691784 44299764 76687352 26382492 63703208 51631444 47933600 36899096 49988692 61999692 46816808 42156456 86528888 51720072 27228220 44308132 68469176 53531168 29473198 26753268 68410248 26832270 60616924 85056632 68136896 73653112 84518408 30752166 66127864 61688056 91922536 48737956 64566896 121062472 107837224 97088320 67508896 66812216 141918096 furosemide 5803241 1917721 6325163 3352365 6164631 88873 733696 1955199 41001 923971 546598 543643 607627 galactote 3121596 26826112 7894253 7077644 7253500 1399875 1561252 1513608 473565 1117235 2283490 8914608 2912873 3713705 3065518 5108310 1748204 4573003 517277 355098 5965688 3768462 1316092 3924205 551934 9416402 3333354 5385072 14350809 galactose 1-phosphate 285506 74778 146345 220135 75409 3027562 164880 58754 46923 60169 160424 75826 102624 210697 71433 314543 1391279 694437 120485 63495 154630 664157 316331 1371185 114653 137288 358451 451434 410307 635625 1844399 3312514 942445 2324891 gamma-aminobutyrate (GABA) 110608672 114850632 115143664 197206592 153395296 100892880 76673792 31407972 55311556 36970240 124100736 196648288 147150304 536076512 157818880 109746152 54564836 204697248 127224824 138622448 82194064 693230656 131389640 41582032 905065664 90678216 106918896 314502720 76349912 74055584 229382096 71802216 125469064 127532464 254321216 189752176 362325056 142022896 105870888 78587072 127809168 66100304 72161072 91482488 266449472 200254704 328310976 215700704 267778176 gamma-carboxyglutamate 8447723 11153915 11994315 12893385 14705870 10084405 10834703 1657939 2545793 14895999 10683054 3346751 13673159 1709109 11431999 6114605 4120026 8203373 9588966 10137729 9780421 6783129 10579348 6096124 12762200 15155057 11063531 6619495 3833339 3646786 6254679 3042265 11733476 11364854 9909744 8716306 9293915 3070823 8733799 9245145 8364891 7715577 12820776 9896893 10140788 11677339 10225182 13077360 8624494 gamma-glutamyl-2-aminobutyrate 429151 561834 1004623 1153518 894737 877564 701598 266018 829077 506397 988263 1001972 2143749 809837 755400 800786 1171956 800972 574737 1139543 955630 978586 1399960 2757954 1202481 2002907 1813757 2053485 683815 2112139 1750554 1125925 1680530 16171142 1893579 6256755 5529871 859746 4569672 6689114 1800547 1175282 3626318 2137896 2323081 9441706 3322427 4837766 7494305 gamma-glutamyl-epsilon-lysine 7062872 8729520 15730801 9111456 10958120 7866752 3574186 3557060 7468357 8332439 8987906 29686308 58681776 16632525 16478189 5665606 12274585 20240460 5691437 5780663 5296045 13567148 4606816 5255504 32318910 18776168 11016640 10648074 4769485 7901967 3408815 9884089 3174977 6737453 9611292 9142224 3138089 2292641 2466595 8902564 1476765 3987803 3669794 3759336 9250233 12619765 12517377 8159630 3222664 gamma-glutamylalanine 723953 1174569 12962197 2793424 560182 532495 13141671 934917 6758192 1045998 484950 1248330 28661726 1386748 939978 390825 1263225 884198 261941 19525758 1021114 929043 15577819 3150443 1473352 18912264 18247456 30162474 21259496 28516448 11226206 26801432 682865 55500800 16733214 37553016 38347816 1191009 31841680 7211999 2737264 1042174 21884068 48657576 23458010 50706260 33932464 34502804 52981184 gamma-glutamylcysteine 2075012 1119405 1704308 272194 17442520 594024 128596 8335805 12242257 6075933 5580509 7344994 27053702 556030 1513304 1734106 11886890 50003056 6878314 3487394 4756018 2651875 6409834 7946396 53494372 25859852 8448398 5155774 5989736 7652535 7174234 gamma-glutamylglutamate 312992 610328 4592255 2093244 868252 1353050 16139753 2450372 5726614 2394404 846387 1205724 18069736 222065 668994 526987 1275883 725017 376982 6332894 1874707 620601 13110966 10762763 1371532 4438246 41759684 16574370 19110026 28735930 7062005 26338672 1750393 47842064 13074493 13580837 22078162 1504449 32297492 25579134 18894266 8326364 26334278 36582312 19763980 27964590 35662616 29476268 91672424 gamma-glutamylglutamine 270672 528888 20880038 2314551 1576440 895249 22205418 2795265 11483433 1568245 407423 776955 113899080 826995 550522 935339 838853 542267 296293 30416892 921982 563050 36684380 4442003 637056 22023684 37761056 51277248 33740792 41933908 23908516 44815588 949377 155124960 33804536 37617832 88897472 783168 73333272 9636577 4705420 4987580 138022144 175494112 102743368 162420256 103725200 60355808 268681120 gamma-glutamylglycine 1917792 2569978 6460638 11007350 6829828 10368139 7089692 1878378 5116819 4416122 4365703 7315595 1650797 6342291 7237713 5813862 4177721 3530143 3482829 10990887 2134232 12698829 9746075 7944837 7545393 7469821 11102284 6149269 10982886 2622413 9359912 4601858 18813432 5299896 10280775 5683754 4455160 12404203 62007548 20268608 27235256 12395467 9930830 4572380 9438377 6285514 16773645 20491120 gamma-glutamylhistidine 2781926 3282763 6021771 9297203 8164511 10732896 4381984 483174 1299965 4949878 6321859 2683806 6477242 3477062 6932881 7530268 5799312 3102179 5087774 3927877 9441149 3361979 6999925 8949277 9423096 2397811 5393185 3490236 2433544 2776575 2617238 4082556 4646801 10211852 6775981 3166116 383620544 359534400 616712000 24079296 1076338816 1039945664 6412163 5908839 6397577 8103034 5884108 14433942 17081302 gamma-glutamylisoleucine* 893933 1220851 2096731 2225695 1223814 2043997 1551334 260568 1128398 1258115 2429973 671659 815951 1547123 1316643 1540753 2265904 1021493 967378 889925 1427587 1155655 1508320 1262459 15820888 584196 704948 1251743 674100 1423727 460166 1338540 509631 1335804 740058 1208584 902714 1079194 555379 1610816 793731 1750630 1204846 630024 641378 1192030 699534 1242649 1367384 gamma-glutamylleucine 1894053 2562034 4528371 6145543 4056052 5446086 3247705 763394 2886208 3431613 4327378 2323250 5039198 3419284 4269048 3360989 5335855 2670945 2132228 2639508 4443319 2483329 5138155 4793488 16664928 9740326 6059502 6043608 4220174 6231775 2513721 6625623 4362117 8270277 4028690 5710631 3773419 3643337 5840901 9241842 2767592 6187495 4981495 4719760 4082865 8404382 5917115 5558425 9392075 gamma-glutamylmethionine 394723 564445 2917618 2299129 358236 664850 3153768 251432 1730471 894896 510378 446005 14515215 884675 459491 310538 1178390 612349 165147 3512710 1044556 649881 5138581 2498457 2254056 5848259 9436136 12821088 10951307 18951788 4137262 18697712 735767 21293392 7099460 11096483 13620796 822920 9681488 7922508 2417305 1228390 13734246 14506716 10657039 19426650 16819656 8517143 26277874 gamma-glutamylphenylalanine 830921 1134722 1427480 2662269 1165764 1933923 1513921 1280732 1158067 1867772 1033851 1723167 1711517 1745816 1536256 1988430 1133110 908901 1149013 1636732 642099 1787292 1603865 8624486 1153443 1494907 1695607 1377856 1802419 393735 1882683 1147756 2766346 1386682 1947034 562426 1036266 700974 3377192 590758 1971346 1228063 1493571 1373303 2345556 1899211 1955699 3062412 gamma-glutamylthreonine* 297192 330643 837942 1710095 964987 2527758 1092684 165151 353939 679699 804074 320865 1339962 397868 581527 1979807 989446 642302 1070127 95099 1145961 299162 1475316 868121 2369387 144895568 1066815 1950645 494233 711583 2531401 1578939 2890278 2532159 1006829 1912813 3330854 1010400 5722364 4159815 1923306 1382614 702603 5712563 3692033 10050653 1670157 3582553 7137746 gamma-glutamyltyrosine 529321 382660 285763 2142667 847723 177598 357604 747990 1764153 520199 365909 1141212 523696 1056830 511015 545610 989286 469608 226672 1368345 gamma-glutamylvaline 2504981 2464930 4151835 6023715 3963972 3133626 4910658 4183895 2725976 5463146 3298679 4044980 3439496 3464467 4426722 4850164 3287770 3044249 2206907 3847663 3168790 3894053 3496932 28028356 23767778 14076760 5539455 2759461 5588305 4647029 4339370 9563450 8987610 4668282 6206106 1148832 825597 1841059 5924095 2332867 4583696 4641512 4055073 12012872 5493627 4162629 9053943 gamma-tocopherol/beta-tocopherol 1243620 762528 4965005 2156050 5921202 30041686 3204680 3459358 1710833 7444476 515055 1056476 344371 4591095 8606739 5903939 8513455 25218964 2707310 4598007 5271636 1030411 664357 3631901 5433099 2603831 6917194 6419713 1034667 3362250 99506 7136752 1155202 2153257 9808536 3670245 1704705 2813473 2513977 1312770 2127447 604013 glucarate (saccharate) 559661 269285 744336 631527 599029 1500357 674617 191556 1434755 551776 846478 353707 1190739 953745 1712626 1844582 glucote 132995264 144952640 159480864 148844768 134540192 41525452 112190624 35493524 201817456 230331872 72264544 12983467 181488512 10393943 51243688 22082214 27570462 100534072 12462024 31580592 34391416 7146518 59757180 19412234 64344080 60193236 160286032 52461028 10020879 39533696 48605688 11941222 21682532 57588992 100408200 25765356 19907916 6796577 7207369 17180640 6822463 24025636 44349504 47188452 38555416 44113804 102844480 34088688 52493904 glucosamine-6-phosphate 119255 47959 117928 710265 377838 602782 281992 82064 69382 123846 190989 684141 691444 680765 182235 1784911 530402 466557 376814 727518 492915 187643 119604 81020 138437 331310 509045 335657 322887 204087 1363575 567158 518846 1287404 417200 1347409 glucose 21819072 22604188 666581312 861978816 394577056 644463552 648742656 39236548 1935368 360953088 725685312 159685488 199907744 28097112 402629952 830854016 368643296 103921976 434334336 38306156 463211328 114281432 698022976 378283872 7255589 771464192 169933056 581528448 449710560 258364208 557388224 342132960 616790016 582242752 538500608 1010259008 922907264 225198160 133055392 612636032 166747872 245946480 628217536 725274816 1070722688 806372352 900199040 1166632320 763865536 glucose 6-phosphate 45584 34404 129302 78167 608113 72911 187607 1091298 554332 647061 704088 132725 326357 156474 455219 562696 206157 74750 134550 390441 76771 107512 247324 1147026 392818 372293 1386174 336481 1181975 glucurote 956117 1059241 827276 976282 2898716 745668 972502 537298 2628078 9199920 607529 1939763 12767510 1153277 4443028 893456 12185427 1103442 2744047 921416 2327999 786194 841888 4285478 2507641 3966187 3781126 12093195 1329155 3812180 2469701 6892613 9527558 6144422 2654101 3106481 7851906 804573 3487087 14647970 4146284 5060607 6453909 7045000 7303263 5929747 4176050 8949094 15276975 glucurote 1-phosphate* 31576 59248 142434 808121 290313 375154 170862 181603 156032 376675 262781 210534 3391526 22059 307123 589634 523658 722372 316156 298559 318058 361447 670207 2571744 150131 4998616 668693 1475653 3292792 4103697 755954 6882842 3306825 5283624 2001309 505529 2227961 399466 2177120 8872100 1695049 3706373 5423123 4464946 1929849 2116337 617754 1064183 23453710 glutamate 2853896704 3274060032 3852275200 6195216384 3275159296 6102918144 3721806592 1862331136 1719634816 4037780224 5617296896 2215730944 5718472704 2512196096 4742901760 4559090688 5012145152 3822678784 5545112064 3798988288 4812456960 3727617024 4671913472 6711375872 8119114752 2948526080 3353753344 5155755008 1945127552 2573147136 2855472128 2723322624 6056743424 5471332352 4563063808 4284946176 6157533184 3821139968 5553846272 7884021248 4598661632 7064118272 5649159168 5539515392 6888743424 6233856000 4639663104 7200612864 8782076928 glutamate, gamma-methyl ester 9400326 12278637 14188717 40215320 14480902 26779168 42586884 4881439 3061763 13362296 13824510 17409218 49923020 12235465 12969393 24499864 35745128 22032072 34491256 17825748 22935432 19076268 15871920 81288400 35359936 29262560 12174990 46890752 10684745 10050902 21914272 11215221 39788480 30232520 30817476 23435406 44577968 13310244 30273062 22323556 20435956 49796248 60488456 44963528 67232568 41993524 22215474 32229756 34272408 glutamine 1345084672 1654796672 2126038144 1877425408 2491051264 2089803648 1764423296 846899200 830190464 1570510592 1146476288 1278057216 3909935616 1993292928 1514328704 2155555328 1363131264 1093078272 1358979456 2481862144 1785454336 1795907072 1831157504 3268498944 1359343488 1233892992 1507212672 1882054912 1128467200 1005670912 1684500992 952563008 2180302336 2484661760 2036779648 1991532928 3523781120 1711127040 2539606528 3122758144 2429341696 3235867136 2998165760 3919405312 3995086592 3647394560 2283901696 3060195072 4157505792 glutarate (pentanedioate) 2247892 2730189 795413 431064 3492217 4549950 8886156 983843 2196089 724072 974590 3460159 3449565 1946940 1412947 4016855 1547063 2744276 4166836 4618455 6464528 2231500 815341 7708738 8437363 2050296 2209612 1222677 2407642 2850890 3508745 1947936 7293366 1806254 1834258 5592775 3014689 3650751 3090296 5128149 2402597 3579746 2366068 6727682 4568078 4948315 6863978 10918123 6324018 glutarylcarnitine (C5) 6085487 7609816 5196542 16247297 27814202 10613672 6569342 1445983 2772683 5695864 19099040 14565593 23554512 2260616 23125598 25926532 12482994 23269750 9601965 18139244 15918778 13630650 10438431 13458218 21880940 6097535 9522732 10768265 3359178 5293966 5950176 6910523 6434571 8977351 8404180 6929271 12929870 3415869 17237076 24593488 12637286 11780491 17437334 11767377 14970631 8839698 13856428 27702548 11305318 glutathione, oxidized (GSSG) 1613299 35734532 93582336 885845 178001280 10108904 1385657 54960040 174648 12362496 58911924 103587936 2535125 40318476 4364278 381040 482941 109104136 7746779 147598272 253336672 356933024 11421250 81737280 778467 50291016 glutathione, reduced (GSH) 393835 563156 7269935 4224302 1485636 15924212 42325188 343831 615670 905482 456005 270150112 1366956 551536 633252 510687 724019 46930944 1816712 1333081 21131814 3625975 178195744 3472680 170108848 12449893 21109392 10363609 71633064 46017120 6648589 5925405 36465688 6192993 569933 1660497 535272896 417166240 110133352 12792530 22308432 4816171 17077764 glycerate 33790288 38222644 44137600 52465552 64293652 75177904 40138180 19774768 12274350 51666768 55813656 34018772 77345344 30212284 42098996 72245816 45087080 38035156 57889952 42404052 82096656 39099876 42284888 85739856 49035876 81942872 85204936 35995940 23005022 30511308 66005320 28504792 48454044 77302896 113366720 54020056 85152240 25224208 66275892 98904360 48480648 41143760 112828520 75329576 67825880 62273132 73155448 83165192 93058800 glycerol 16300879 20394636 28160074 40292432 10126463 21365696 23974932 3525527 2715316 18256274 24938362 3154220 17808032 12878535 18269320 13079423 9986904 7148315 16015743 17925452 13886634 16227341 19328652 26635482 46504776 20700666 12142368 18483850 3362869 4638959 8250010 8041862 35394304 15501090 22046848 25464850 27980186 14322110 9344722 7123675 10083619 31136952 14029974 13706235 17087592 21794664 12402887 32550404 6873248 glycerol 3-phosphate 140812 162353 1799393 4588913 22098204 575079 1927869 428729 1313663 173576 4421753 119677136 227051 64462 2080205 352992 243462 2890781 3348119 231973 1029518 116183760 114787072 94591248 128860656 35148444 64895484 103481208 75026000 86940560 96322800 128415592 90650176 75051000 57336588 51432140 126345376 114977592 93763288 152934464 123676936 107051688 79299488 79218440 139782416 95939072 136480704 glycerophosphoethanolamine 6766491 6843390 36044096 71072080 14565213 29883432 51541016 2646670 495297 10215178 11869216 3606734 35655116 14477214 15501243 14192956 11998447 4329027 25417194 39115956 22704508 5720896 21225966 37884308 60351708 34836560 78165456 39341348 20945888 19894030 50137056 11487232 55390908 44126188 43890404 25726180 84179936 10557272 51010608 38513468 9723529 25215442 28448880 104498696 62434744 38286040 49786692 110863784 48416304 glycerophosphoglycerol 3602365 3477757 5720443 8926865 2212444 3599810 5301818 841510 374977 2912691 4547233 1017804 3202318 3550212 5191442 2380603 2785112 2645887 3225760 5040865 3455250 2150620 3226762 1322575 19908672 3882541 2008463 3331101 614556 1240791 2059943 1403595 3095667 1825477 2885780 1939972 2489773 1276470 3034925 1569139 854844 2420021 1378938 4876054 4222655 1713813 3053324 2722148 1483713 glycerophosphoinositol* 523610 594990 1204644 6271263 3877923 1529028 3205738 1037202 248569 1044978 4385961 984983 2026526 359153 1285805 2874317 1647420 3031744 1598278 5108531 2730824 1421778 3108779 3020938 8776958 12919825 1955580 2990109 1775587 1964125 2362036 1644359 2315621 1292015 1917028 3968464 2025781 1570318 3389556 1661672 874253 1673770 1198739 6850614 3236501 3213204 2409249 2159450 1413382 glycerophosphorylcholine (GPC) 1069274112 1157052544 3047359232 5133841408 1137508352 2869072128 3085178624 489034496 110024088 1173168640 1905967872 418188512 2267261952 1307048448 1485270272 1670389248 1341044736 632480192 2092420352 2446213888 1724291712 780796544 1966812160 2293683968 2861359360 4304236032 3443284480 3263481600 2434536448 1250960512 4982014464 1188808064 3792267776 3168708352 3719185664 1945147392 4959872512 1344560640 3503489792 1785576576 662593216 1946026624 2235295232 6198621696 5269506560 2985576192 3774376192 6171395072 2716205824 glycine 439979296 517441696 562669824 797369664 506967072 739954560 513711200 202293856 178217280 474759232 665182272 310008480 505267584 323438528 606535296 624705344 573548480 471728512 600880384 448422784 688748928 477143456 637857280 519626464 844755136 466241632 452403104 729444480 425437824 475393792 362763072 425571552 523985120 641625088 440943904 727765952 556732160 483816320 512666272 925856448 555103488 692563392 667630720 487572768 487643936 574894784 399131360 721039552 654471488 glycochenodeoxycholate 14266662 17572960 55504672 5400086 1125526 2257359 37726844 185681 1186906 2480531 15062783 931528 20315036 8389732 1765885 3051371 2016554 2397872 8712713 12862268 928640 1986058 8924642 8814712 6777173 1766575 11711504 21105878 1459629 31078228 11719543 855425 30391310 6151785 16861810 29312040 35758532 4035496 21848810 49955272 8641434 26646512 11472237 72265512 10922835 14911996 5539601 31441496 58797152 glycochenodeoxycholate sulfate 764453 919920 448164 37786 36284 142008 1162512 271430 89717 122936 42254 1600428 113065 157847 159095 211774 145077 16570 144939 404511 332111 177390 58993 155144 1226546 322178 213201 91104 1993865 25007 197440 493260 179439 155585 45006 451166 420870 glycocholate 13945113 18920468 18549986 7325953 5495474 2574918 15014855 1654410 7560022 16112600 7625860 1545658 6346789 8900198 9236738 3637330 743283 29510754 8408362 18250690 10614409 7455553 22631680 3843720 4929354 1114490 5940134 16105028 1428343 26385366 4487879 1813574 26359932 4308967 7506738 14946195 21146898 6555961 3982175 39921320 2239045 18075324 5888448 47105012 1727668 6862983 3362352 16588114 15769051 glycocholete sulfate* 139187 119175 251714 3625052 124534 524729 943355 244137 184916 1199079 201134 136259 49694 489571 291857 142406 229088 188139 1147785 2854482 518700 928950 1626524 2032320 1312877 1218335 908068 1140845 368004 923070 533451 1034044 1441533 1035008 1816644 569588 666726 2129336 388861 glycodeoxycholate 5013972 6100850 7823906 1325438 153267 5655227 1832148 977309 6964121 5980559 369023 32508856 3997445 3564479 19868484 9589096 975288 34168684 6092974 1710726 9196906 514919 6601796 5117375 10427789 956261 36588648 8350575 glycodeoxycholate sulfate 120594 189825 2071460 163309 349638 105652 242619 174234 137269 841985 190890 69119 2491640 368230 94611 751455 952872 315446 149965 292008 423494 1526846 183107 glycohyocholate 134892 187014 125916 65940 253731 184122 86721 328989 129640 202140 75911 64656 152286 155052 187508 149585 864373 25559 87878 168451 glycolithocholate sulfate* 30004 96052 36901 59769 1433943 39520 250775 108118 172622 346244 77472 1837510 435816 60075 391719 625855 500422 616413 44253 1054175 1209354 949078 564769 374174 716310 9869734 861730 342218 347892 92736 717775 1067920 787079 251255 3331517 1167129 glycosyl-N-palmitoyl-sphingosine 3030699 2848909 7725398 10002308 4718780 15580474 5687303 9268270 3979401 7698776 7055243 7127000 16993662 23545924 10428474 7133624 9115874 4524846 7652106 3931832 5188179 3592758 7008570 8148289 7954329 7571554 5455290 6563813 3175331 8296300 4026648 8356095 8780483 6810060 9041342 8855087 4972901 4565057 6570106 8856058 7133976 8460766 6996755 3123935 13439021 9026671 12840574 6607517 7213852 glycosyl-N-stearoyl-sphingosine 652348 648525 557730 1227571 562031 1296381 800750 2103909 213323 843129 691811 990690 1766571 2200482 1019486 1467712 667337 789215 1100632 326753 784174 889445 922239 1248997 1217285 1198734 1104599 975038 278305 600208 362009 580794 1345125 1015606 1297259 1091274 654288 843051 621140 1433892 748133 1241187 1427635 688445 1723559 1383557 1604069 889722 1646207 glycoursodeoxycholate 137602 175614 338937 642902 372176 140632 267659 4235228 569208 1065028 384177 528248 367515 83546 1540974 743438 80775 5090323 95960 442101 691620 1731828 134731 1785511 2756588 350202 1221015 258875 3305293 381936 284480 1026507 3556078 2340319 glycylisoleucine 566495 850096 428581 1382568 127081 1076352 517008 362532 669897 726320 2347371 1498489 1857530 144956 1818678 571249 630053 1889580 488860 1445761 349040 1255558 1540993 6187280 339767 1349734 1446811 825045 931490 865698 1872429 3266039 2645924 382077 820390 368099 932272 888050 1568284 2197514 664834 2592925 599597 glycylleucine 9805476 8706635 8108554 23389784 1692090 8833487 7375023 2145684 663604 6136512 11511003 811791 20700216 9235457 16003685 2622388 16316202 6741202 9523190 15622195 3110256 7794535 3103977 7236232 5330663 21004916 2617903 38064252 3269526 6127740 14830552 5129116 7748711 5620628 19189984 27816862 48192572 4773522 4251244 6065935 890683 6565397 10097318 5671399 15450081 11759778 5606977 31017172 4272242 glycylvaline 3173873 3261003 2932389 9699211 3030727 9427234 4007756 2571135 994963 4368498 4326947 1631420 15658811 10435935 11294299 3132231 8939102 4333475 5555061 8143603 4481962 6420545 2626434 7354231 1965012 8103726 3818997 15147447 3317405 8144906 6856119 4583139 7698873 6307194 11887067 11785933 10685812 2196895 2507101 6922316 608621 2884409 7803382 7446459 9627356 14239960 5706899 13964380 5642990 guanidinoacetate 12128991 15540693 12914192 9658673 5884170 6989982 5306115 7352700 11690063 7224146 6489126 15481681 19173140 10026437 5377414 7300361 11157622 10573652 8919496 15134225 7031595 4517901 7132698 36631068 8981383 4783344 7471023 23715024 10942107 12529948 8250885 16054430 21420108 17421628 18398264 25849496 16335479 42409336 11987220 15123960 25808494 171190160 14181308 18803428 27366712 31436896 14094745 31513400 16665070 guanidinosuccite 11997362 13929594 19773884 11399715 5195037 2570059 5018801 310573 238168 9911623 2208337 1125227 9971747 288283 3597265 2916374 915878 1660327 616225 119976032 2037713 643466 7602928 2698351 18909144 528573 10267226 9306037 1980068 60392084 5615851 18510596 69732528 36045312 27117620 26812270 17961884 43351936 108569000 78784632 49400788 85040632 59246876 57664704 6160302 6020235 92123888 107411800 guanine 1202319 1538540 843137 1819088 11080220 1066810240 1425788 191675760 1954974 4151604 912056 175765856 1888819 1850065 4766619 613259392 185993920 308131744 472998912 667389 689485824 7727601 35311048 953419 553255 369131776 1914413 3884035 884060 1202961 1422931 818402 1579871 825641 1250277 1912045 1231026 739209 2547260 1122758 1396419 1376771 1735263 1270777 2153430 2612511 1264779 2124018 1495216 guanosine 713922 702005 5229231 10450240 10174088 60937628 6581640 38589100 1165654 5615246 2799420 17803868 64384264 2523246 14080353 43229712 17780900 49941456 58118384 8151133 49320464 7679437 7818273 22198752 4372478 134484400 22674224 19990728 20070092 29822908 31506496 18575054 35171616 21435214 67303960 31294188 38376680 5687797 38657764 32036224 21642352 30366024 81744864 44071812 46550392 49414204 31690726 91968272 41949768 guanosine 2'-monophosphate (2'-GMP)* 485198 594690 679009 1288267 667692 1917414 784866 375651 853778 1078620 1040607 2063652 77952 1398626 2099240 1127562 2320312 1944216 1038828 1777323 998166 866222 266320 672916 2377683 286770 819976 228296 255579 582824 244177 497540 489319 1572299 661631 1471863 436029 1032810 921596 491139 412354 707883 618006 1371813 1181908 741170 949603 707258 guanosine 3'-monophosphate (3'-GMP) 347136 333024 1825125 1580609 2516619 2639874 897149 1292014 923864 1367669 1006392 1855277 3267555 344457 1608420 2663239 1006293 2381221 1303124 1622882 4010868 468832 1940800 354974 1268340 1204741 1186947 1298377 1422059 2209384 907635 1174673 498861 784331 2472059 521426 1427564 567705 1702883 1850018 622773 361720 663070 2231043 1508319 2719173 1361245 990183 2163231 gulonic acid* 10055921 9606435 27797436 21857016 17952430 24201448 30670628 2028943 4563254 43618692 31878076 4036438 38669064 12286801 24430648 27490112 22872914 12923292 22111664 20972090 34488112 14575440 12034026 75713952 83558648 20121456 39187120 30937908 4986235 11100851 14659675 9190722 64951704 141350160 29184186 21311644 77512136 21098712 33593528 170300304 33215010 41632272 32777076 55213152 56234152 63394868 41973772 122351784 44054808 heme 22993498 23296412 28025372 12132906 31476818 18795718 30809146 15995416 20586544 46664712 23236784 34872864 9108826 33381026 15006926 18596896 44786992 24514198 25910058 1232468 21742406 17407574 28551096 55104 4803172 41407852 556365 97223 191841 1117491 129905 341319 130379 61571 67871 104770 389191 325707 475813 hexadecanedioate 255745 173675 292496 225255 229037 158589 225525 145873 481962 227648 185483 128876 1064591 191406 228366 222569 190864 228446 187672 325336 177921 125044 243094 1707343 289618 247842 2536518 550759 672194 1471790 403989 2367449 877260 1762739 460856 300703 777306 982249 1195082 793369 1136807 1796776 1769045 1274834 463603 645482 897157 696181 1095876 hexanoylcarnitine 270142 550624 337312 775824 1536540 2514478 15923304 4804740 8665508 1967846 825510 2047801 1964958 948403 1844565 7534952 921585 615748 756943 4538336 5726746 2814554 331106 hippurate 2572080 3029056 1320322 1642383 493911 1784497 1642107 15090419 1453669 10204802 454892 916171 52201632 2398512 700402 706499 566428 6396908 2807114 86914656 929892 3675048 1173727 82985512 19165188 20958946 151222896 53909392 97605856 19450842 153827264 13543193 156107568 192648016 265224560 3251944 10211332 2506742 166529168 76055664 2133188 111594528 97745912 4657237 60239312 46987408 229972544 404850304 195821536 histamine 10603996 12716409 5753272 4129004 154229 1165527 4904991 5358470 239246 6609856 5402676 2647587 6954960 2527525 4907948 4083284 2546401 11109304 4536519 3986999 9213110 11303003 2317348 231499 1316596 6454466 187352 4805767 10190082 8987730 10672802 2206951 3722362 7171199 6430445 9491086 2830084 2483800 2524643 2130409 3998984 31318928 289526 2968044 1635458 histidine 3585055232 3835895040 3741641472 4262543360 2881077760 4244763136 2471742208 1349279104 1143455872 2864584448 3522449920 1324987136 4025901312 3062278656 2903928320 3310131456 3465164544 2314534144 3486187008 3501064704 3433223680 3414037760 3175785216 2738557952 5282122240 3481766144 3380771072 2359590144 2171022848 2216789504 2584949248 2390448896 2446013696 3326647040 3195052288 2593315584 18429538304 19226384384 23177009152 3302274048 25750214656 17643325440 2848573952 2990447616 3639207936 4203274240 2784227072 2979720192 3634210816 histidylalanine 16149320 16245844 11744216 6146506 329164 5247129 7688938 1243889 805721 22524512 6545712 6811913 12837606 4769305 2856817 21516120 5140334 7640393 2043346 1438750 7626321 1153396 260111 1447573 14637267 2425853 1020740 489496 477187 199087 1168498 1573577 1842945 893905 216331 257601 936455 1125441 425464 1181594 488438 homoarginine 2443677 2565363 4739449 3374836 12041020 46883448 1873830 18145470 8900130 698219 1112788 6121035 2588128 2030154 2961496 37679116 41517992 14753981 41304220 7820841 29847496 25850012 1524999 7613526 1235367 8536004 1420341 3722107 1426170 656278 1484193 1093743 4868835 16709870 4892539 8195340 22301408 1888754 5194184 4526767 10349124 4254403 7391866 3338443 13537677 10338296 4545498 16428918 4020423 homocitrulline 907719 932222 1662782 4626325 1334408 1132926 2345745 3086940 773239 4003990 10819268 1965459 6019112 2443257 1332793 1223324 1217356 1731904 1211854 16621424 1130082 2196354 3257530 1016713 2311125 2231429 4222374 1752522 1439687 2034075 1502860 1082895 1345505 4263378 5057329 1672515 2482856 491523 4417372 3459652 2228261 1134949 2882760 860459 2690076 2657433 3529028 3096731 1068003 homocysteine 612283 548037 718713 2879835 2084733 3349860 266122 1119001 131061 2466743 1562924 2018241 19446644 571940 4855366 7478314 6371758 2548666 1773415 5957632 4025170 42915344 4955098 14806896 983278 13920651 9160196 16708557 2254743 1709933 3324132 10342493 3656726 9349443 4762343 4081103 3840678 513680 2153922 4033414 918555 7896452 11273336 11065048 3531589 5812744 2144751 3330667 1810830 homovanillate (HVA) 110557 167331 2369752 557219 69917 892994 3243690 417974 182395 42998 4256632 189521 63886 4745612 592221 66370 12474665 652169 68839 92363 264447 172791 83342 208357 469991 147970 357697 648214 homovanillate sulfate 1763139 24864 2687729 44882 710827 1198686 1142641 12879 1512300 54027 37512 511015 1790402 5387970 440084 37193 254699 324124 239899 167877 434440 93855 723260 640244 66306 hydantoin-5-propionic acid 244508 204336 204895 28100 2332457 82628 1844972 1073432 2572940 283913 545752 2800255 124505 44044 41150 62572 66756 311145 hypotaurine 25245558 28156648 19692002 20084860 15903070 13938595 10476311 20163500 6423129 9971100 14766412 7774870 21879184 7363641 62397744 14980816 13752741 20486496 14005072 54776392 18040236 25818942 15565685 26704540 54407048 36576404 25646586 17688450 6777524 18821466 15699902 14734621 18258492 36368664 22109890 6870269 25691596 17403056 22744156 39719520 18147312 34692088 11856384 29039564 17223594 40723328 17977020 13961028 31316706 hypoxanthine 4778647 6169570 25882704 47213812 95251872 73395640 36828000 55940136 33129868 26799710 20196288 53711260 180770928 38710224 48597804 111161312 57194088 71583080 41959452 45057604 75019728 57278836 45638608 163962112 28204228 102519168 282497440 104229360 102560000 96471816 137523280 89017752 202628704 233426976 220427664 197445872 153051856 47823020 102959200 207566912 112840808 87637512 188989936 191046176 203279632 236249552 244677616 272032544 226911024 imidazole lactate 4444231 5169108 5654705 7638455 15156495 6143376 1603456 4164286 4747642 7649488 10726559 6073106 15626789 4330837 7759210 8513299 3530214 7762069 4408995 18152200 8907773 11489320 3018773 8975098 17472266 49715856 25052760 5816359 2184688 2210616 3162561 2071682 5170059 6669334 4715420 4719647 56058576 200685104 107663976 6774252 27791462 43882164 4157786 9446612 8261152 10323284 8782333 21330404 5112419 imidazole propiote 503132 492524 761881 1231730 2428820 7245617 703915 11673163 3523605 2360722 293088 33695240 2879516 2710791 2394653 1960326 12735530 7592911 1913540 1248542 1039251 1009931 2805714 5301989 50114984 4253580 230284 153658 171289 99520 198633 1227151 513665 364417 183731 8821951 39541752 8377961 25511688 25831522 59604064 1622976 1108313 680591 856918 450176 806182 4536539 indole-3-carboxylic acid 39312 34455 25307 35407 63005 47519 36816 43572 45476 227184 23964 50730 22768 85332 51645 16865 72494 62030 58465 149660 30895 29749 171986 37048 52860 103429 104007 99758 39669 122894 21645 46948 137108 66745 231000 99691 84689 92736 48168 39215 190500 162558 105277 97058 188605 105521 indoleacetate 106111 144370 110008 197759 149332 60871 103146 52920 468594 262242 292669 46469 56468 331607 143030 46381 44427 68608 34617 108925 43079 117850 195298 237755 47115 38573 35748 77172 128377 51431 12229 indolelactate 874558 415831 595581 1063140 9918689 243325 697255 1365324 659399 340198 894672 2450681 3828033 2710917 928916 2905601 3469315 730713 2163627 inosine 3274927 3637452 14188859 47850036 59440016 64542900 55436256 83356392 11960393 27533430 12853256 42075208 532199200 45946128 58322516 84014864 44843936 82732008 66333440 31929284 54976216 45003720 29577976 452531904 17019616 298147328 274640672 202210192 238871440 186993792 489967712 136345168 749019648 316543520 635673088 409415840 234532256 68382112 335967296 509231008 202410640 393391136 855589440 674972096 610454144 522307168 541959488 695155520 529804480 inosine 5'-monophosphate (IMP) 153120 250804 312281 219720 140410 190505 238571 89865 157376 217565 316536 116639 108323 95545 49310 105145 261938 134685 261702 141643 168672 299184 414227 159820 71409 140072 95829 251094 109171 252075 177588 211431 315396 59898 11685724 281463 4451879 2786528 565380 283446 325112 308378 230406 334809 389808 inositol 1-phosphate (I1P) 354490 400990 1322153 859133 386529 988498 771817 903024 844498 1146614 325927 639611 532900 450965 196818 589458 713237 617614 500396 453363 1665321 10701427 309322 616389 456548 97648 249070 298121 628165 1467796 652083 921828 545272 554566 360736 267082 456373 234497 1303669 359737 674080 360029 968012 538271 662036 268060 Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, myo-inositol 1,4 or 1,3-diphosphate 101916 577171 1183778 304526 116905 334622 134293 190031 157734 1977633 11713724 67528 132172 615475 335962 206717 259211 66712 600583 117864 417586 1556146 203634 7377461 574068 660135 313526 4561142 454064 1424769 474141 19622524 472186 657508 166024 5273330 1199876 3543401 2622952 2520832 685963 1019688 2329115 1020787 1116195 2477577 isobutyrylcarnitine 2135752 4337959 2206268 9700873 8520540 4908325 4803847 7881652 13843050 26043404 14065241 21067116 16087840 4252000 16885864 46906784 16220804 9161233 6362249 31457484 21762888 7327357 29584584 35826656 30863960 39134048 11947135 4554302 18885564 65461800 9119313 38517200 13993100 26816300 3540470 14052823 4179150 15849743 21198760 43779528 24167342 3668302 27064152 24624372 33525488 29202088 24682512 86324896 65179628 isocitrate 8104246 8544994 18094782 25848376 10553601 30629926 10970840 8115438 199242 14427901 32495690 3606028 16387341 4948911 13531736 22935360 24240168 8058116 27985282 20521162 21406180 15118032 25651600 17903846 8838705 24002910 20023788 10308154 4125191 8925809 4607992 11040744 4534162 23273052 14556597 7345966 34539304 786023 43643608 15143159 27192060 10532371 24713964 32029440 17278372 8245435 7478494 6550554 19265252 isoleucine 2211233792 2378284800 2363341056 2722986240 1846761984 2521692416 2038992512 1720043648 1712266112 1869994240 2523248896 1430428928 2386491648 2557319936 2577406976 1818762368 2481188352 2080475904 2198356224 2371378944 2207955968 2032424960 2153991424 2318184192 4152555776 2192439808 2308748032 3052892160 2769865728 2716988160 2656893440 2995730176 2472310272 2532283392 2700600320 3090072064 3054766848 3098444288 2083580416 2287137024 1926446208 2319851264 2316776448 1999446144 2406269440 2975948800 2034995584 2614552320 2066768384 isoleucylglycine 17427752 16695858 7102974 26152966 3072103 14479735 16016980 4025058 597872 15118160 19452440 2539013 18552968 10300406 32478110 5389325 28757384 12785567 18180036 29239866 6412223 27271432 7544791 11094492 3966640 39274496 3488002 66770744 5845391 3699109 27624152 5161023 13514178 5463499 34771776 36662388 17295800 11204688 1491699 22057628 9501842 23780348 16069518 8344728 68693704 5526910 isovalerylcarnitine 1850414 2121917 3404575 1800637 1272679 1116776 1251327 2193209 6132918 4467265 3623229 3364761 8553686 4108815 9403167 6185683 3422321 4732304 13341424 6810465 2724433 9389327 36335812 104480504 3117806 5659589 4919088 29772048 2349773 21528028 4795495 2374471 2169952 10584333 11678743 2601142 6964372 2394424 1423264 4184411 1651133 kynurete 3539972 4322644 1133351 532161 3755268 2529163 665642 6434008 10276248 36626540 1271540 9054395 14733574 56163996 6415075 3916513 1852718 11989639 2396686 11203233 34268516 43796776 2005951 1137879 52414172 41272876 1037276 443715 1212429 1073354 1488666 541262 902369 1428879 244607 1239688 4151617 16039110 1174844 1449884 4519478 636013 820852 2727660 531894 2661057 700245 1120903 kynurenine 116520744 131653232 53467552 43755152 95212096 61180176 31805752 38467112 140320704 35512604 157136064 34141844 17544502 276334496 86501120 101856040 115232920 159710352 49891560 59166324 147784992 165399712 28035812 22931028 562611904 191337536 40077580 19032008 35392536 107781264 5459281 54599336 6938735 46783304 16036979 15924839 130260568 251995552 390675968 80668200 158972896 321710912 27198204 11110083 29990952 15097503 43241056 18100900 46336304 L-urobilin 85328 97970 206840 1652347 3211011 831877 4067637 1184277 210867 1439333 400125 126463 15860805 937091 4743344 460875 424376 1783536 8837259 706293 17746884 3662740 3555686 7541874 1843795 1570655 lactate 723168640 906481216 781387456 757361536 442368064 819013312 645668672 594383936 472626656 537550080 709604544 475757248 496494016 707918400 707357504 599618496 631684480 550102016 646884672 722427712 693577280 707399808 552118592 302827136 445034400 924264064 215805696 273221504 173812656 136965360 323126688 129793624 392691872 266747968 541701696 508092224 892276416 182838048 292806976 373804800 198499216 270139840 419297984 271202112 530427648 405737760 342919168 767884736 290447616 lactobiote 269439 80436 6938616 7100933 908057088 2173268 8958267 264168 511575552 759308736 47831364 221409184 85509552 690756096 73758128 912067392 558797888 1272584832 316835840 371632 733542 583358016 195357 449554 599323584 246651696 284772736 325199552 761789824 533777760 299840736 lactose 89933 3678601 191822 126574 412289 2034280 38611 808822 464309 298742 1963582 378390 435725 206726 50348 240356 638073 326004 127737 1136235 446208 700270 279457 864163 324887 382531 71413 500247 589370 447916 1687578 119497 299956 228907 234716 459660 1445580 694229 907520 559547 lactosyl-N-palmitoyl-sphingosine 6485581 7745826 5104291 13708513 11345242 40333364 3716294 4762492 20623536 15138452 4152487 10781873 42708280 65721440 29793164 6105156 7535379 8390935 8639740 9379938 14113130 5941325 4125899 12091001 17477512 8899024 13307434 10073357 3011548 33137946 4634985 6580145 11155137 10724766 10357324 10426075 11623690 9835591 9463335 7687018 9758317 9322934 5881722 10540754 7895758 27396144 10201107 12062779 14224352 lanthionine 13174973 15815415 12796438 12142989 5746963 21953852 8238294 681561 285103 10657008 14355310 2295185 1096386 4119601 19631844 11947156 9865422 5870387 9209716 4655087 17719590 7109520 6896391 3699796 41416304 470623 1785612 2061780 1469606 1230569 1414654 1075712 3001727 3075242 1471706 4078707 1741822 2976670 3148269 13200752 3887120 5183427 3029226 951328 2817879 736937 1230870 10995846 2148955 laurate (12:0) 386129216 322346336 383854016 162209440 22406938 46351104 750678848 18304506 27781834 27538700 116454104 14641507 129026232 334322560 40906828 30799084 29040528 29877010 32248410 65105684 30346800 35520612 290602400 76567200 158600800 90900656 48577488 123910728 16956378 25824842 26958820 32346016 194819792 37631604 66266496 51098060 160541008 40404140 43365292 25491858 21996620 86918616 70230920 60422336 50313456 99144856 66814832 231687664 29259904 laurylcarnitine 776955 624651 210259 1121496 145473 244130 426045 1910264 5954847 168660 324704 184030 911041 1419363 192532 267648 216680 103817 229786 226574 89092 607399 811249 5209310 214640 165161 313032 138306 313117 206983 219825 580826 317835 282597 332947 471489 316873 302863 378310 315400 717027 868718 365873 472240 531392 280310 1325631 697839 leucine 3585286912 3719589376 3531515648 3959662848 1817309824 3187764224 2944231936 1451282304 1441141376 3197623808 3137922048 1314308480 3254219264 3154580736 2956129280 2321969664 3292952320 2349350400 2980857344 2838760448 2404425728 2937582592 2878869504 2371739648 5416376832 3398833152 2446790912 3315819264 2483806976 2403647232 2745704704 2645263872 2625223936 2775233792 3131720960 3347098112 3730570240 2982650624 2431958016 2718112256 1917495040 2404647680 2572553984 2107722624 2713348352 3276073984 2296350976 3028562176 2359063296 leucylglutamine* 6291884 8700593 5440327 2571264 247155 8857559 2804230 461127 9797031 2610094 164417 2894728 2825552 1184751 6273325 9449907 2283301 7208236 1899169 3465225 4454173 3203994 276724 314294 8796277 125683 1943106 482992 959234 768479 862706 591184 142504 733655 1542816 2548384 1655785 370198 193519 235998 577996 1022251 742913 573510 2566923 386327 leucylglycine 1106490 1437939 678421 1986619 999853 2349230 566194 2184342 1138823 336869 1659186 1042431 3135716 215053 1553045 737567 1023413 2049422 5664195 526752 588746 215007 3690893 232509 8734767 479076 317777 2817047 309648 686547 532332 1948166 1935214 3830072 622368 232188 807197 1246453 700930 1704111 1091676 404568 5983581 555756 lidocaine 291414 997034 6565499 5655681 3864354 1304891 1095063 183730 528532 457749 1949807 13199839 2638512640 3206481 509479 701821 48715440 linoleamide (18:2n6) 555719 289593 643723 167626 340373 934484 92733 3472269 2784236 6528355 356857 5541458 1237099 9252493 6241602 237249 379467 1322384 1106204 207553 152357 151897 632941 119340 141098 94526 415178 2860949 1270709 792865 3000504 2118045 1635652 169914 295232 4304615 145424 124656 263431 1678829 383202 221147 185839 566044 950364 3743017 495302 linoleate (18:2n6) 7715121664 5541933056 5397014016 5369148928 533054528 4246452480 4109584384 157479632 249098464 7299083776 2747832320 677685248 6981373952 3484557568 4012548352 3034926848 1662482048 784675328 2947461888 4207352576 1014382464 5918564864 3162744576 6436422656 7305613312 2573132288 5449620992 6575524864 792456512 2061999360 3433164032 5505298944 11935854592 6976584192 12140751872 8044088832 6913538048 4820576768 3263283968 2740540928 5519588864 8241289216 6819527680 3906596608 5883176960 13048842240 6522619904 6622754816 2872865024 linolete [alpha or gamma; (18:3n3 or 6)] 1408659200 1104958848 1352476928 1154587008 60934656 408235904 1140231936 10690868 19043128 1250709888 374780704 45498200 817360832 543829376 504489632 562195776 156123184 108531904 378520832 492992576 66632552 1538395648 596775808 878996288 1293916928 485934816 522549376 1081320960 44547028 173367344 297456736 357962560 1872451584 536410016 1884361216 750893824 1084440192 470870272 378379040 361020832 582081216 1374739328 1024029248 599454336 599348032 2717255936 723312384 935279936 239228352 linoleoylcarnitine* 7776924 7646757 11543774 34349668 2585963 3656985 10252865 2336140 4082570 21709704 12836128 5589006 41338104 11962446 16270087 2740108 5981824 1783843 2543276 12047767 3406375 1800872 20796516 21189004 100155104 2957274 7219686 9251338 4285792 14410472 16851096 4342824 14441064 33893488 22679536 10084466 31575328 8812079 27130032 30298552 54461092 66226712 141244096 14984790 21722068 16526815 9777471 27596276 26755816 lysine 3015608576 3272150784 2864702464 3230266624 2176154112 3025180928 2105545984 1492184064 2167027456 2485486080 2920513536 1718308480 2799811328 3104879360 2486291200 2629694208 2873119488 2560265472 2709056768 3078701312 2577271552 3455992064 2455735040 2344497664 4145407744 2859699456 2771089152 2291694336 2336319232 2638148608 2401720832 2230249472 2391419648 2805903872 2576069632 2627785472 2807407616 2289573120 2713241600 2784689152 2518359552 2306293248 2463494400 2106450176 2383964416 3179258624 2463884288 2333047808 2547070208 lysylleucine 3978824 5153067 3019529 3013605 2478573 4188906 7500083 1177571 4052515 3920422 2665412 680386 7216327 1700939 1792738 2499272 672302 6882712 273912 779301 1413317 5228712 5166309 783681 1411631 790533 367496 2328976 3818047 5368242 856476 182631 98718 86915 516102 468244 181123 1256988 1173178 6553404 143435 malate 503218720 572339072 845233024 775439040 645718208 757360896 548847616 188666064 107671952 487649824 804057344 423572224 896057152 332052096 756822208 536458656 609495296 480885632 512161632 750305792 512859488 500161120 834710080 587135296 298556064 577254528 668243840 606946368 371116384 368647296 714181824 326679104 692919808 1007304128 754470080 764958464 992362368 421462112 857954560 679848384 1002022336 691387136 783781376 1243728896 1063907328 996446592 702680128 788549184 1443413120 maleate 3513767 4850538 3925483 2278117 3477298 1949478 557803 632693 673547 1086954 5197363 1106646 2101318 913024 2810779 1041100 1105612 1014853 871352 2574578 2331187 1391250 2025706 1460003 2052424 943506 1146246 1531469 710197 869791 1966338 489924 2365492 1957936 3782786 4806083 1897932 2146171 1134033 2088588 2983056 1503670 2534825 2977343 4559210 1952639 1158515 1834676 1830126 malote 8804335 7283440 7149596 6835549 8776443 6346457 4022313 4558856 4075381 5746362 8332681 9115926 2684558 4179719 6008333 6037194 6688151 8617694 7590465 4802657 7855352 8098121 7251513 3984768 2854887 1905875 2359713 4845885 6438468 6565975 4367242 4278736 4939641 3326819 4011074 5211971 4074786 3567238 3974990 3920457 5500577 5089567 2476796 5020076 5165317 4716691 4907351 5649312 6366319 malonylcarnitine 1272451 1726588 3492138 5502847 2837811 5122915 1777342 322457 209081 2792374 4014003 2021832 3778642 883480 4011786 4352692 1712252 1354477 2139555 3308644 3604616 726818 4011024 2562811 4551007 2980066 5493037 3040480 2184355 5141947 6371115 2421767 4040742 5981856 4243615 4397711 5786438 1165885 3914846 3826392 3707278 8756454 8127831 6727965 6402989 5134424 5986430 6337461 4406864 maltopentaose 364790 803299 570597 126309 79385 11296 78744 197011 452712 1164417 254454 146121 831648 79559 326635 35601 895141 53225 784824 284411 18969 45844 96210 372336 710765 60643 44173 304897 31319 693155 1376751 19943 maltose 463013 926830 1457371 5014001 751081 9162408 804146 1519210 827902 411382 1665024 2511800 211908 1313929 2179087 914488 2654158 1935727 563253 385398 762266 2838783 716452 634828 4902916 1584505 823655 3473481 92543 906949 1706708 2139065 1320540 1412445 1375124 2335812 2742708 1255615 755064 1426380 1470830 4480929 1299470 2957997 990171 351903 maltotetraose 138351 645441 5773999 10642086 663339 6094971 3070788 1525417 772357 1246408 2035963 1942722 517684 244212 7502198 1186922 18786724 4225803 1268328 438896 2414999 6619186 1405031 118581 647980 326839 6754854 2639774 486596 25504640 563324 2909098 15386178 5685770 1361450 1804490 3346680 4825320 13880942 1847722 1704301 5796734 1776693 10892282 288586 23070430 1432169 285909 maltotriose 1569266 2303009 14414623 20119888 2622321 20853972 6927984 4394469 72997 2233863 3191613 5691247 7793136 1413362 1080680 13688736 3262400 35503568 8181342 3837381 1599852 5309778 20198282 452065 120935 2194727 19867616 8845927 2054637 50077372 1273815 7450969 31958068 13713232 5248605 6088602 8930901 11370080 30543460 5366456 4293610 6947954 5241415 24962486 189170 48114648 6351529 1589249 mannitol/sorbitol 25697930 28918664 33777820 78238376 9885394 35134196 22583776 10872376 8293961 13108511 45388420 3858428 25613956 127604432 14153475 28263688 20143268 26385064 35723056 27444518 16839430 19007048 43048632 62405944 21585106 14961074 2249833 26942264 4529603 5744691 57688468 2161003 25508566 69514120 27935374 14227919 456218496 172905776 408039584 9648032 433892544 370433696 13842304 43340884 13915516 81829896 7633280 18866952 20722954 mannose 809008 751866 4449850 4723764 3400734 3339604 3437164 1219503 2415079 4589820 2502845 12646394 1041766 3156539 4351259 3725922 2196679 4070031 1723029 4794418 2534083 4481742 7541762 1488259 13700581 9862514 12016099 15921406 7750088 21715080 8209231 24049932 10983053 24971566 15798381 32263898 6955581 5607589 22276958 4797428 5968145 13972073 25104182 35509368 13056781 55708872 18266312 29871826 margarate (17:0) 439641536 213146192 117275400 117005160 26898070 174282960 71651152 25319746 25830680 64418256 72744760 28150736 363503232 93538616 96486680 95770032 62460232 38629660 103052528 112830512 49445244 108963464 51708656 186730320 241303792 182502336 183027680 143648464 32793416 53098244 122521800 158933632 617012608 242620832 520808512 213815600 140528032 128565280 126452928 108625864 123893904 198997712 184280640 181357632 186215568 541790336 297991776 263323248 113212832 mead acid (20:3n9) 31912456 49584840 47960228 88355408 43190184 183248288 47585484 16259802 8339931 28230906 138419392 32418808 149775408 120066712 88742552 102429672 136073760 79286776 187816624 54241884 88468240 196146752 75682880 16566232 101892560 281155584 66070260 50340644 4598191 12550491 40557144 60435528 54364484 59774480 87228144 25212186 65362292 37138688 40876508 50484764 20288560 34398024 55154212 68089640 40266924 81431200 60169496 82391976 42111720 methionine 1530883968 1734077824 1491575552 1893157888 855150720 1580062464 1042703936 432866752 676457344 1139453952 1546045184 629059520 1812709376 1613075328 1403063424 1070433088 1552270336 1107104128 1343370496 1498861312 1135860480 1230523776 1234619648 1242029056 3633008640 1554474240 1609569024 2101410944 1366681600 1316528256 1604540288 1552856448 1484284800 1731485696 1842798720 2119722880 2198019072 1794996480 1465091840 1573727232 1115629440 1337655296 1402626688 1140518400 1502145664 2220349696 1328587136 1655663488 1314385152 methionine sulfone 565342 756493 1066221 1569838 746368 753149 642482 316610 1258885 7656220 294261 675847 558077 1059677 616757 787055 612828 924993 1326180 778758 553390 1127829 922510 294012 298435 4273628 765127 216529 1019983 793672 261803 1825919 6793515 2804921 930617 1534849 482298 2798751 3191060 594787 1308884 1507213 2379174 1575156 1449474 3931774 1329589 methionine sulfoxide 31953596 38330472 25133242 55089620 41472652 85834144 29164392 14272829 16504825 36754712 49447108 37899568 35078304 64708208 55786628 44206692 69662704 56547248 61980996 46536464 51723000 51141840 26551558 17584204 85042600 47268560 31246814 58006164 90250928 82636360 66763828 47078376 55416472 36766964 46635992 108967392 56868148 106662656 30404866 54985936 42856328 29104848 27880078 24597046 52143324 88827360 56840628 70279712 59188320 methyl glucopyranoside (alpha + beta) 994262 1713236 3764529 2713440 1363272 2550092 5484443 285600 1508058 2995588 237653 2385557 986585 2696971 3943028 1403577 1646036 5905230 1093777 2980432 1632908 2935589 4215017 1299726 750813 3506258 793901 530382 1694403 1216668 6178200 1778408 5269743 1358057 3276111 4086211 4811374 2637788 11025160 5234380 2038396 3348857 4980610 3316149 2488110 3365999 1785792 methylmalote (MMA) 24048306 29578418 105526912 76548592 26382800 71038112 57550744 5897090 3976282 41456328 88960208 9458039 29067862 8988201 112470400 77497728 40801192 58705612 41618152 48818524 94708656 26205968 58955472 48415580 22242572 35789952 28796820 28231660 9988893 5520421 88746832 14115951 74826032 23957126 35362744 51817368 140308912 10318551 13361986 16243703 4839985 14243115 23796886 41895384 85020824 81168104 38275772 65703756 21389996 methylphosphate 49505 76574 97948 168516 199620 214969 183014 43001 50841 102547 122383 434493 101462 135317 126683 90241 118048 178193 176489 100926 105063 446628 304759 239699 374377 219396 142117 261575 374258 229002 383059 344084 444161 330514 433343 120699 466431 671789 496158 750694 567835 392701 532615 440879 338187 524563 442939 methylsuccite 294529 293403 458180 625202 298063 232950 491969 160523 263408 733849 692111 233446 3729638 211622 244153 326180 523865 331902 253268 793845 397645 239697 537832 971858 963735 637615 1472745 302328 108849 351180 423408 438841 1676363 2860952 568476 792137 720738 576259 558037 565668 1017868 1353959 446104 1192684 673101 855680 1176039 1024707 1507913 myo-inositol 18320052 15325143 20025488 9883310 8728997 22576798 20906704 40083404 9815358 22624480 8999946 14443133 11488894 20913204 23333576 17297316 17620812 17750024 26913982 9590023 20092860 21585088 17594128 14460702 25695460 30571200 9548541 10505318 3560780 4532241 7765490 3295886 7345585 12343655 6552124 2606800 5800065 4560512 4771107 8833897 6983819 7378574 6235879 4284141 5022618 5347553 5002418 12119582 4275532 myo-inositol diphosphate (1,4 or 1,3) 33178 1098586 1686866 437520 190133 61379 232342 379208 5702016 206266 4083807 1952710 499861 2670761 2016984 5717716 1001065 2574785 3198326 715166 702988 626269 3961248 9972659 2887256 6315968 13714843 1221751 1708565 1938318 1365366 5188383 myristate (14:0) 1874132992 1224210944 1165733120 1066300544 153487696 776377408 1351076608 86274824 132917568 200823456 396745184 149969056 2035292160 1124059264 328463264 620771136 265118400 227489520 673934912 426350816 290631648 507002592 730413888 1399722368 679888512 1138633856 833768512 1391816960 132286680 238025936 613890432 648314496 3303187712 893506880 2105994496 1095115648 2064917120 533644960 606703232 342398528 541092032 1652026368 905847296 1050700096 1211693440 2602558976 1356418688 2607871488 549900288 myristoleate (14:1n5) 230033152 201497392 48565296 40751756 11066591 41545688 45626796 4396477 11722156 15846864 8938606 6241761 268803712 230400992 14787437 66016292 19075816 13657952 45992272 79242176 32381816 29486736 26729424 227806640 243787344 136666912 44208672 102880672 5830217 36121208 41359112 29031320 342251104 63581160 123257832 111088472 262486864 72453168 52269256 19320760 42399520 240315824 93460376 232959920 89717912 228497104 156634144 478495744 48227624 myristoylcarnitine 8703488 6705496 954281 5584041 943251 610839 2448706 8405080 4979058 1585671 1321160 3048597 19090020 6801563 2217760 693389 2100761 1167512 754357 2354073 1253767 545256 2504884 11466067 24342240 1625479 821437 2133321 697745 1450893 2069466 820167 5581850 3350609 3020723 1747864 7908936 1547387 3677805 1675769 3068622 6580454 12463270 2142252 5513103 3535462 1665901 13038900 4313172 N(1)-acetylspermine 340479 210131 489002 1943400 1272673 1242113 2955271 65404 2384833 993251 645727 679093 525693 650316 224173 3058204 751110 175120 112773 132308 498042 71679 180731 473206 248215 168013 194085 N-acetyl-1-methylhistidine* 939117 992470 580591 2067126 970518 495033 409116 147181 3866509 1162707 1611052 459471 1266931 330121 303346 632787 5764990 378679 729774 289853 1210798 2136275 595132 7725639 3150653 148009 476797 326897 2626916 3410336 13274091 1880396 858269 7120870 634894 2014191 2550388 1797264 10719199 753761 791438 3761259 3612998 1933382 7296796 804199 N-acetyl-3-methylhistidine* 228045 587666 1785815 127201 1086566 782808 365987 350253 634646 2088324 166768 781217 165879 N-acetyl-aspartyl-glutamate (AG) 330244 358185 379864 600522 674212 833467 320110 1186066 211838 358410 399462 224105 540581 148936 552873 730409 1115329 941750 1755323 302693 867952 594374 659614 413869 359129 879153 224194 210113 140965 308754 438313 734568 222002 589279 258677 69636 345993 528175 793090 1246230 339502 485864 249503 N-acetyl-cadaverine 590472 352253 5816290 210495 309214 571220 1942169 886972 205199 288216 2177984 680929 506222 1015678 269868 323357 685402 535381 1604887 672068 7758056 447494 1191391 1375443 1031218 649699 213659 242959 611156 392822 692303 734015 900730 245637 352075 1319920 541705 269539 477523 481555 701321 332962 675105 N-Acetyl-D-mannosamine 6-phosphate 1306107 1714056 1093640 2637151 3235004 4348834 1151797 6906752 1383591 2373247 1714282 7703190 14186529 2466695 1841969 4371327 4006788 3806886 4784932 2279206 4479070 4230920 2111209 15981519 1625486 9513005 24499182 4813529 8859382 10422049 8455946 9411415 16312953 26109096 21308856 6757023 11022240 2772172 4996753 24737964 5191602 5528511 13336557 12952160 19856756 23810576 22037286 17450804 15653502 N-acetylalanine 1585362 2043930 1803790 2588836 1444062 2870085 1129122 847054 724387 1595783 2563731 1517035 1778033 1684845 2308734 1773387 2581712 2265393 2002643 2168389 930493 2058508 1381513 1139443 3400672 2833637 1353237 3414320 2190003 1514578 2342980 1544711 2493311 1157654 2634875 3868784 3495025 3253523 1031232 1976710 1098813 1314410 1126107 1132262 1792186 2795494 1355559 3142994 1123826 N-acetylarginine 1398945 1431270 1692858 2843274 792096 2060794 783923 245613 786638 624295 1602994 547562 3092171 840741 2425681 1487711 1198769 1081067 872539 6545270 1027381 2569758 1106681 5151144 1647983 1909294 1331676 5678584 566602 411799 572217 1547507 1755227 3202782 1025573 1244014 7891202 1338764 1878676 2877522 5324501 2664449 5925422 1436979 5688785 7770739 2509091 10802789 2155933 N-acetylasparagine 626767 801924 704694 10041519 834246 741386 764220 384446 1036126 940584 2699888 1556217 3184076 1977833 730482 2590741 946454 1255422 696332 2351818 1122643 3708814 401846 2884867 1114214 5857232 525258 2880000 438148 337211 1130235 1255510 1628243 1104066 1028749 319087 22067048 3454880 1549766 4389734 3921665 4635323 1901385 1438101 4378328 3529374 1593656 18677854 2475538 N-acetylaspartate (A) 4032731 4799473 7353560 5236908 12611883 10436887 7356135 7977517 4372201 8998181 8817993 12045484 19498998 3106355 7959904 14656879 18731408 32741100 13115849 5216133 11333227 26742216 11446266 7873512 4070097 56189340 6352675 4771256 1662244 4495904 1418636 3605238 7391973 7888084 8520961 8629548 3409923 6421009 7458043 2885690 4312439 7308413 6496864 7011662 10927296 6385257 4598959 3827120 N-acetylcitrulline 256718 304830 111878 1616476 192533 29532 32190 736242 135841 150328 116375 758373 236139 210218 97006 190685 52205 678135 663558 1793740 68395 658922 452513 198930 79701 751537 58778 248926 31721 179657 88850 582771 302293 115236 572498 448140 207126 239480 38775 201268 131707 659244 61889 N-acetylcysteine 404268 502518 436837 641495 365051 768894 74218 893563 695294 204306 1043875 272450 1015025 1238141 777706 466190 468991 472354 543162 1134715 728847 722232 938654 971726 450544 327305 207459 259809 451094 418268 287143 581266 751816 412698 470714 683456 951648 301515 1465768 1026158 933124 962336 982787 847400 1011681 333959 N-acetylglucosamine 6-phosphate 38731 164361 187674 261643 365555 142624 81991 355356 1715611 109900 65687 228145 226955 153483 300645 109415 312834 219284 88623 1702060 141271 880352 3021560 443293 828350 829948 859736 968032 1613335 2680189 2251690 568135 1036240 139700 466062 2725886 459927 658080 1513659 1482521 1729154 2258674 2479836 1636154 1981911 N-acetylglucosaminylasparagine 715286 1262401 4346649 4769904 2409866 2181373 1770166 1661623 1226400 1283275 2128700 1420944 5199004 651651 2550301 1662653 1369617 2310090 2074989 3317158 1802388 2116529 2175035 5616841 2958513 3170051 4442016 2474925 1886208 4356049 2174800 2145480 5193692 5118356 2559828 3844999 4721793 2645976 5245974 6879969 6299041 5498469 7309147 4624597 5953330 8795699 3419199 5199785 4873378 N-acetylglutamate 337733 490068 875094 1455702 1052762 1761161 338288 746061 1678377 419911 902682 2678364 7501713 362828 1834608 1595215 1769162 17623030 638465 4142814 1657993 11822980 706874 1976596 3173114 9094802 1269556 6054773 16851480 13130026 9562265 12446875 14297485 195237 12232467 15175821 6880021 35416832 1673583 2962506 2109530 4979793 226579 1625035 5542990 6270526 3511524 30543056 1499971 N-acetylglutamine 955854 1619148 4278841 6721744 929491 1836528 1374669 497668 607662 1410783 2325178 1503753 7519508 2825855 1434638 2498277 907127 1769215 1173625 3904317 1169276 11495683 1292441 4952679 953662 1640754 260417 5286017 1104684 684281 1873124 1097944 2773223 1098306 3075542 3055820 22823986 5838590 1747135 3513522 3116324 9006667 1909580 2610777 9767593 5292631 1492545 11081309 2186385 N-acetylglycine 199960 385318 531700 1081758 144685 229586 385036 893205 1805024 369493 633767 634710 963146 692911 584928 304437 627967 753151 943134 428155 266037 1765597 911872 891931 1232700 531352 484742 380423 557338 366225 622675 645969 487865 654339 880885 1817068 3130566 1676062 2175672 1111782 822665 408611 674928 703831 359810 1023904 857864 N-acetylhistidine 2606750 3145213 3247799 8699618 3853861 9520693 2946246 3286227 8711258 26351340 5598303 3861477 3215711 6760908 5921458 6521420 5180760 12982646 4481341 5269263 4680296 14245457 1668732 1756575 3011817 25135254 2998053 3966737 654858 640060 1052108 1464219 1833761 2564915 2346133 1283751 21794084 25545892 13972102 2603294 12668506 27381632 2484837 2664747 4284074 5035526 2996620 6694248 2795629 N-acetylkynurenine (2) 885724 3877372 576761 311720 1346436 557301 11827069 1096128 240034 137796 6818840 335416 5974937 526065 4918477 479794 159710 293371 313653 317940 N-acetylleucine 91615 129421 267882 151993 86410 130404 72615 84330 181930 78442 65310 213125 75375 47685 81086 81093 499221 28668 726053 63070 56634 41771 58862 79990 88546 49577 71698 N-acetylmannosamine 19943172 22968476 69519856 89918832 21122436 75976872 58745508 7157421 2795487 23136754 45378432 14792047 32120146 29227512 30285260 58347076 35349800 28241034 62995312 46509212 36578388 23554184 49870476 34975728 49200576 31268652 38894172 28140596 12515179 15672164 15496880 6236262 39056344 36145632 38916784 37148060 16042045 32628170 14743783 15906788 28912534 15379049 31244644 41485892 25111780 51093100 16520325 N-acetylmethionine 462340 431217 564662 1148194 858388 1706913 5092211 1684352 1514254 1115537 2628082 2422970 1394108 1571922 3339748 2785272 6291400 1797998 844820 867500 2851404 616201 1563939 1229196 4703931 1179994 2499178 3721620 3555706 2120625 3471331 2427077 1588066 2288024 3696934 1243127 2776374 1141520 1586834 652210 1880439 1330862 1708201 1499841 3451821 1033807 3396481 515432 N-acetylmethionine sulfoxide 121167 219851 515027 733808 111709 152617 207654 730791 141637 327105 331848 614252 590966 1249949 412306 110890 188171 348935 206384 310228 180089 482853 478376 195760 99829 357671 172301 739107 76390 793703 186328 82596 57795 65435 225835 522653 195891 622055 131940 N-acetylneuramite 1783238 2051025 1511232 2174346 1311471 1520080 2352300 657214 748742 1398300 2189159 1085062 1755763 1957811 1757925 1031878 1753235 1571322 2809050 1988050 2230862 2487143 1855669 3039644 2355279 1753102 1893213 2762722 840763 1172592 1129543 738966 2475082 2280791 1785942 2103213 1739172 1713080 1562506 2943530 1463828 2121752 2377444 2752850 3219388 1941842 1561249 2341398 3531833 N-acetylphenylalanine 147758 222393 287366 144395 85060 79915 148856 84605 123770 68243 240691 188697 108804 306271 96216 46012 80566 104517 174385 194677 145529 473019 38485 158538 688691 370343 137614 221720 202883 107428 86856 157104 53078 62012 194062 264097 270689 65250 164980 95103 460422 75641 114044 175717 321682 245770 324828 N-acetylputrescine 2984795 3427952 2648773 4636347 9069800 4173396 3463751 27053318 2981991 16667926 3822042 4690369 3951005 6738356 3844737 2852439 5524422 19742304 4531283 9760862 5092404 32516712 2856472 2782506 12148994 7414308 3597670 1069495 661343 907624 655200 4363832 944363 1964767 4298613 2117908 2879616 623834 4704072 1173887 1506433 4978825 1799187 400778 9314585 3963764 915257 4014620 N-acetylserine 8781711 9677435 11140432 12158919 6476303 13618437 5957735 7250046 6644366 10658344 16850452 13284850 9140293 10595583 14181042 11284172 20324772 10093987 11361450 11797099 7040475 15952522 10715048 6071188 17918020 16791452 8324675 17537534 11407187 9055300 9761331 11215446 8726548 8013907 6561305 15688249 10082048 16737926 6367676 6567374 7961178 6550172 2880007 4918591 7676528 11246563 5697904 6864520 6296135 N-acetyltaurine 341283 369846 137116 231558 333021 229314 181463 547062 741335 891482 285500 733704 738318 1014316 570871 231961 374194 704487 360898 405745 480346 1041507 140779 128216 601388 1117686 157021 166147 220040 121203 63289 46599 130428 31755 151407 31559 38287 44114 255571 66915 156825 N-acetylthreonine 1245635 1572418 1622586 2187270 1442887 1827272 1170262 1277542 1378084 2600219 1806917 2187342 2553311 2575887 1873510 1679370 1853593 1949975 1564561 2144136 1357949 2452142 1193990 1255029 3769406 3116733 2014856 1438734 1291607 1994900 1086777 1782039 1631156 1397808 1473878 2001060 2459413 2565866 1906433 2262690 1502782 2190940 1801881 1493141 1470791 2756394 1400600 2271484 1538478 N-acetyltryptophan 276639 9914485 14513888 56617252 529269504 85655688 13702304 15396608 4262159 11904093 40894208 41075960 21166984 25980168 3062765 4104557 596140 25781814 N-acetyltyrosine 48157 82712 80876 51106 42575 56008 141236 68540 87790 60358 113067 22193 14206 26367 27068 22314 50436 413917 108964 179527 481906 68762 41120 105734 48414 20112 26146 246840 39364 36884 39019 112516 25695 226973 15430 N-acetylvaline 148014 256410 318980 173461 108492 184012 153524 70601 107685 131980 262782 153911 67348 203932 158863 163527 296715 129068 134496 122029 47636 310711 129486 684579 152651 68025 104651 52893 69691 85727 87598 82003 89042 108235 80444 75711 55613 75346 71310 41788 57489 69025 80898 56255 99698 89792 N-alpha-acetylornithine 4489914 4385184 1150644 2617866 763449 1689800 880161 103573 1245212 719608 2208995 413352 654442 832144 1851981 1621124 880951 1567180 860072 1569419 967123 2520876 929417 1122913 1641991 344285 393901 923432 492293 638976 293687 416699 307955 523645 194675 453294 1017938 687127 483045 1249986 1140460 1404935 1001501 495166 651570 832294 696118 1119821 1210913 N-ethylglycinexylidide 680003 125691216 291557 596222 1039120 370646 7737047 26263474 238688 11795037 165073 2044461 22539892 N-formylmethionine 49420 87626 31216 59623 40173 206036 157482 90383 97642 85577 37128 142483 71383 57179 63520 111365 33240 67510 44583 305533 32683 518539 264681 25628 45465 65605 71031 65530 24469 45638 26762 66826 143376 103592 67808 42163 24730 22914 37066 36411 61176 70324 61411 211124 55486 N-formylphenylalanine 284310 241636 148660 172994 151450 296549 167814 131401 164420 74236 168510 225427 151029 143013 108842 196223 91229 155639 272120 109704 267689 167915 94287 22442 206631 126884 231032 266728 204186 114764 104670 108059 75569 136496 247787 77809 260188 76954 134153 78724 169299 65315 110070 77645 291615 258065 129710 221246 N-methylpipecolate 9391865 11465539 8024007 9207858 19118996 3346075 2546429 1479113 1853232 28689164 16271625 2014883 56509812 1135994 4514172 7677789 1993644 6641360 3109469 30792598 10990981 4599557 8508827 1516459 12056051 4994473 12480081 5580403 3888147 11400356 7923461 10231656 8240230 6281930 4033996 6926053 39424540 2913508 77519880 13557243 4381125 29632476 22968856 28124420 7747919 19256630 33574880 72204448 4303066 N-methylproline 193648 526523 54139336 1525543 3737310 550413 954356 1084577 1011570 6473539 1363696 623244 1517159 16712517 20422016 8494631 15085865 909525 3829388 2444595 446992 2162711 10820083 2163723 1082396 828508 1160575 654737 18238664 4345636 750528 1913322 5198038 1426673 2547032 691736 1628749 5516990 3736961 780209 1184698 N-monomethylarginine 8422696 9007382 9340090 10295836 12920569 11149559 4009298 2805781 2045940 6133253 9996566 7300509 26726850 7096868 7507202 10825939 9887496 11455816 11589932 9623022 10577079 5374427 9632006 16663010 14305511 17595810 33160786 17708260 19763392 24752100 22270640 19570554 17026988 31896940 21267096 21629266 19389718 18260154 30428494 23065188 23141308 19594722 17519108 18008804 12445943 33403838 25663284 9977705 23139064 N-palmitoyl-sphinganine (d18:0/16:0) 18982488 22540164 10282617 19417992 25701954 30430240 9596035 24998986 12549090 24185806 19680132 20511320 12715680 75519648 19798876 28626366 33579992 33099578 27001204 10138253 22686286 35310628 23189252 18881940 49491508 16820944 5723689 7423089 3721546 7288355 2305059 4090884 9070465 5793499 4649398 12778072 7162460 6900149 8946743 14539980 12866745 26076390 16406002 3043640 5635859 11172132 5253003 10093947 14804435 N-palmitoyl-sphingosine (d18:1/16:0) 175314256 182597536 126921280 234795200 92157632 92940176 84903368 99651344 120058872 98598000 187255904 83860472 139281696 502439552 155340080 90111160 97994104 118513832 99023648 90246320 58622144 88886176 119029472 319258144 783389632 150155424 133142640 78095144 79958256 79830024 70911856 62582084 228477936 141651952 118151600 138778944 97482184 190287824 149554960 283167360 221433200 163252688 189625008 78359032 113344248 187648720 92760832 118289176 204432800 N1,N12-diacetylspermine 817202 1576456 314199 360184 693279 2164554 8578063 102286 8783170 3484374 3955929 358133 3053200 1263979 1077331 603545 1533528 2169462 6635609 476993 11380401 1198423 454486 264072 144565 418331 152707 140703 N1-Methyl-2-pyridone-5-carboxamide 972012 1754778 1339014 10894751 4783969 275526 1009801 1157246 5977878 12720703 7634057 794206 2614212 11486710 3611628 706771 341187 2263131 541458 8592210 1595295 1115605 4995247 1715843 13742418 1261717 3431208 2770646 3373108 4055409 1326840 6871883 935027 4032933 880155 1849071 8731766 3081045 10557109 6177943 9303340 12886701 6198327 2033905 1435303 1905116 423507 559833 2927282 N1-methyladenosine 26159596 28194716 27547000 13548782 8301663 21137954 11269075 6258375 5183277 14200941 12730869 5385140 10760588 27992764 19785914 9289331 11389650 20639032 15501854 18694576 22041844 15138241 12429000 2822153 120139976 17528000 5822968 5166349 2321253 3923841 3926484 2007694 4654013 6735837 4990652 6817773 7228759 13675410 4657404 5915291 2018185 4903276 3777788 3847787 4336275 5824140 4266773 6638517 4725843 N1-methylguanosine 347373 493717 354087 280759 299024 851522 201275 60955 79662 267075 367723 104120 215577 809539 381679 257988 279897 528284 290157 262977 700176 106331 361691 2191822 423420 59485 75386 44833 33427 32654 214839 85994 303511 326296 165426 123888 31994 304400 199509 296842 65840 139417 149357 N2,N2-dimethylguanosine 7015562 7627794 7631293 3998046 2804062 6605319 2959363 2414011 2983861 16321310 3691689 1638226 1131580 20020680 4642053 1690723 2799495 6311930 3912989 4527138 6827801 4793643 3364650 135261 40232136 8027098 300577 1293190 488562 567763 135755 203678 182912 121379 140599 1393654 488722 4749198 257940 289159 101520 535572 101365 309114 298944 441125 158440 370442 189779 N2,N5-diacetylornithine 621984 875513 460326 792647 578874 428565 160401 985704 708623 775903 717350 295637 377507 962946 344280 463440 435933 535792 433447 174154 168598 279049 1189719 280658 708904 68492 194773 130994 76099 75135 837320 307454 575975 602915 297584 283323 97644 103358 368059 164278 165042 483442 396545 170399 430544 114536 N2-methylguanosine 705755 768245 1082174 540395 241743 1149278 424973 206457 146747 541579 649121 108849 131375 748218 947172 444492 480309 727242 691157 581630 976521 300139 612891 37858 5166423 341604 155073 163709 98620 132740 53493 55709 69223 87163 177843 187456 279417 525306 78374 80216 28744 60702 54076 85386 162702 171912 108898 142745 94104 N6,N6,N6-trimethyllysine 21995900 26972260 23324500 24634936 25281548 28730848 9501277 21636814 19057152 22119836 18095324 19149526 50622580 33645640 19213212 19231762 34751856 22299304 21340272 28205136 22462696 29316964 13508692 18970576 98030624 22899788 40675528 42898456 30025690 37429708 44279600 26097784 17677906 35173516 17889540 20589404 16744649 36559480 25802232 426720416 23131954 18347166 16994316 14105291 11056592 56296808 19985888 9761886 19828578 N6-acetyllysine 68738 70301 76368 52175 143412 99264 137678 229973 71763 103653 84880 142980 156779 226742 193791 40555 59765 89953 332415 188082 189332 272377 133823 66682 92778 47210 47407 43535 38278 179446 30366 57442 N6-carbamoylthreonyladenosine 1498010 1493538 1648297 1204105 1799474 1567035 792227 459621 472897 2444569 1146571 631483 1427199 1729361 2081163 856673 1126967 1327392 1234419 1246309 1248538 1375828 1008284 766739 5852623 2876743 723754 696212 411522 503742 607518 473858 703385 797987 877888 1397729 612951 922912 1626745 449168 520428 393434 1105243 664147 699130 739417 810440 1248403 813181 N6-carboxyethyllysine 1027686 945341 1167600 106183 2018963 717113 1174962 413871 566860 445690 369928 490681 502179 738718 273574 1820250 245262 232296 1436220 1062872 1631845 N6-carboxymethyllysine 932175 514253 2219211 229947 1620338 1258527 797489 1141031 311849 1629607 294692 927539 306578 603841 615517 720257 N6-methyladenosine 1056426 892301 539819 330651 1272568 482469 118770 726395 301427 166257 842747 644610 676592 591138 654391 622625 1248672 793566 756234 373611 406936 124507 350423 857570 848162 602537 331887 524059 467320 474674 282714 908665 712072 638979 661787 405570 620275 140673 2869834 4076522 1855164 781302 566076 N6-succinyladenosine 18489558 24518056 13802556 4437600 11054673 14694122 8713771 2627616 1493811 7564822 7761134 13234713 14950289 2096838 6058426 9782274 13076835 19906520 18426370 41544812 6089171 17729940 14471723 12408618 5626897 22541420 7081079 45755804 10447365 9453664 57969456 8187802 37962544 32584852 19131798 36137744 68075112 10124923 24761108 12601557 31415392 16484895 16277098 67963632 93482664 45973152 14153515 23701252 39152104 neopterin 46412 358179 599276 637680 724288 279061 780115 2282376 169565 2855607 1231726 1532973 526846 195207 233494 412846 664827 411398 407757 665607 1095484 2535588 702959 300405 422630 216901 792924 774516 1875459 1071448 1116163 1693237 871142 459813 3819844 1685789 807667 3361981 716164 1173681 2045205 3503073 1840120 1352114 1560518 nicotimide 508624768 570823936 471540032 777628480 878298880 605245120 693579072 394453632 162129312 616737856 356689600 849189760 1324105856 224548256 930018112 1309266176 758819328 678105728 593482816 934396800 753124736 784808000 710836736 1502320384 480605504 1302040704 1645740544 1379162624 1362152960 1363274880 1984865024 1296018944 1455044096 1946287104 1818634624 1860851968 1714131712 896873728 1823976320 1641126656 1562303360 1478569472 2225814016 1770980096 1833233280 1984364160 1946611072 1807779072 1996072064 nicotimide adenine dinucleotide (D+) 191149 270796 255461 440332 344169 242035 190548 75881 89719 180886 230810 590546 40198 150286 142434 93925 121193 112725 688581 222700 120967 242131 1248950 169220 227983 1288367 820442 830976 953737 756906 708778 754819 1636639 1035512 803382 1077859 443311 790535 1802998 850668 1774948 2867075 1314379 745278 751947 864607 912871 1135564 nicotimide ribonucleotide (NMN) 500937 775836 3063992 5183526 897543 1505838 3352308 107076 1443526 1624369 483958 981365 124234 1609351 1322225 972392 989375 1036749 3223060 1037302 1190433 3203939 2421030 193622 736119 540729 952725 509667 527424 1408469 438013 421427 943831 793222 330126 548622 309325 649251 838897 240516 2565684 15822909 2166569 408313 181180 313229 413803 365534 nicotimide riboside 28024580 29720776 43957324 42718948 4080469 15056381 19791280 1690550 1398243 20326256 25914580 2134552 989160 4451041 33484150 6458212 15350272 13645501 14291575 18251432 12193132 19260880 13015625 557026 38705856 3590728 778546 2095249 401068 1120991 812051 1071349 568151 586374 576800 1158806 706412 3074551 714045 645637 735433 1047169 643940 571081 398772 428799 508202 136211 nicotite 2986108 6279636 15782435 1949047 1165121 6252409 5803039 5123353 82742 4255593 1057816 307660 403677 663697 2788476 240749 29260948 1053498 12574834 199404 560281 569980 308156 385501 1606369 255278 353089 342242 321202 1959097 319820 nicotite ribonucleoside 568021 1481063 3661949 959589 1262090 3477051 1251630 6980344 1301479 3761609 3676819 3128183 2305247 1647121 1556475 10607983 1943195 2678039 2317487 696218 nodecanoate (19:0) 23649012 12282300 6118355 8524646 2341737 6332688 4175553 2112644 2852752 4393059 5146758 2574415 12929641 5146997 6604024 3911613 4863690 3007868 4909779 6208120 3588514 4947254 4376328 4465343 11634892 5496928 6456872 4628854 2252833 3340675 5319571 5204605 14709597 6040298 12550814 5020203 4919041 3685680 4432477 4781311 4005631 4494483 5142431 4339070 4260251 12547359 8414395 7057246 4139322 O-sulfo-L-tyrosine 475802 595857 451999 884842 645928 1429118 458583 421768 402720 1511335 962626 296578 837292 833252 801327 516292 680286 607048 717133 697403 598229 868472 643465 299117 1281832 332610 374235 441542 188647 235228 150361 167247 342032 328900 331529 484384 398626 300442 312785 472989 310628 429956 300663 287869 448451 414380 229289 413311 415224 octanoylcarnitine 123603 446662 136522 616847 6850316 7415870 103291 219017 1753290 148993 303356 279651 190676 1193381 1900560 382302 461349 516166 147981 668504 407791 915968 355683 2423804 313859 oleamide 3704024 2157519 2722771 674543 4478675 895993 6368941 640454 737324 17536472 20019764 49354684 1451075 35633964 10820398 61592872 48937752 1168902 1190018 6187741 5520915 1199818 816471 683539 714854 1111572 723099 828031 10432747 16405537 8028542 7272395 31422310 13151171 9285214 1030791 2493164 30455712 1106986 1145643 1337905 12514330 1329117 1429334 924504 1344597 4144044 15280128 2137514 oleate/vaccete (18:1) 14245479424 9004098560 8604139520 10030268416 1566650496 8293405696 7316584448 584860352 873856704 5125835264 3749290240 1083388160 13192671232 8563074048 3903340800 5649050624 3301560064 1814671872 6790542336 5902956032 3862791424 7520139264 4941628928 11861683200 5756647424 7685203968 8753783808 8419767808 1255926912 3688214528 6482607616 9268336640 23954569216 12409332736 19520739328 12062518272 9638115328 8571492864 5552132608 4800144384 7824765440 16797004800 9250720768 9334681600 9506293760 17547665408 10932280320 13972385792 6242189824 oleoyl ethanolamide 12106129 4992810 6095008 8790157 725338 4539932 2533009 227070 439557 6332096 5689316 405854 1602982 3547716 5417639 1743476 1589481 1467645 2734466 1510092 3087054 4753270 3151617 816385 9319790 443642 2463416 518786 225730 524494 656356 661677 3376142 2035948 2961294 593845 1182085 2114146 2057748 1472661 1213640 1970432 907656 808763 628661 2443697 1688368 842781 972527 oleoylcarnitine 31997926 27151634 18027684 73713264 10014150 5375630 14750830 24808254 16504035 20526604 16146315 17651564 135178656 52158828 17285240 8598054 12204309 7979916 5330673 19440476 13255179 7641948 30157868 65494916 105908376 11274754 10995246 16243900 9376412 32393968 38213196 9378393 53757148 74394880 47476692 27207312 89237992 31828136 63994000 57948480 106248760 169567600 221434032 51215560 62016660 32837746 16114854 161920944 70638656 ophthalmate 15954727 348256 410091 36780376 36256412 529925 227302 158656992 83549 126767 175872 42282600 19794054 741320 245989280 24246980 156868688 61422216 327896192 167742864 87290584 1471196 430035776 40588504 93835448 632076928 1718476 131344136 991325 650308 285738912 370152608 456409536 630602880 297154592 44946764 292781728 ornithine 2443941632 2687566080 2286378752 2603408128 1578948864 2506201600 1627399040 631711104 2240399360 1971212672 2471250432 1056060160 2133122304 2290484224 2266343168 1961512192 2371295232 1907268992 2117771776 1783329408 2172054784 1826462976 2128966656 2009818368 3708638720 1938761088 1887504384 2982568960 2554184192 2299009280 2530469632 2447819264 1922643328 2070617216 1953605120 2908585472 2123667840 2464307712 1918718080 2053054464 1549502464 1721680640 1673124352 1631761024 1769108352 2499998976 1752309632 1790946304 2006537216 orotate 1075565 1417368 5320256 2815945 944069 2562821 4804103 2582006 2563963 2061314 2850484 1993775 9558981 13035639 1747148 2150466 4983245 2177020 2743313 3877869 1323639 2202446 1360480 1244254 22933024 1576317 11262595 46715 558699 1674575 682867 427282 2566723 6433542 8177464 2690558 3991682 391117 1411143 1112546 1153525 1090755 204360 2050574 1669377 6464125 9530529 1444334 8029942 orotidine 153811 173367 107972 99048 392357 671679 850564 453161 863744 122914 600784 708973 541326 172869 517968 722865 1043094 821379 372029 679829 979298 124501 339211 373691 312201 187966 151099 304192 149941 121072 132935 83598 37028 102892 168268 107837 oxalate (ethanedioate) 3156683 3008338 2959808 2969227 7374734 4794943 4965962 2586325 4193128 3582417 4414940 3247009 2646088 2168311 2349546 5096263 2854263 3743022 5121678 3039788 5116092 2685672 3464113 1538059 1642504 2599436 5030018 1236638 6358880 6121254 2218946 2341594 2343205 1788859 3643184 2607070 2281032 3669984 5097820 3125623 5998380 2439725 2163832 3197955 3125229 4509548 7685293 1695033 5045515 oxypurinol 144566480 74108 138982400 273946 191683584 70309968 51866476 26401650 170938336 18823236 155266528 153317520 189992768 122318176 137961 160069216 85083 143330432 124617024 184954848 107965224 88018800 154989888 164973008 p-cresol sulfate 265466 283411 105272 588618 1217764 423948 448800 3333636 2909840 518906 577411 598677 7763847 77883 27463 1077714 5390986 769261 1573160 7090769 1289012 263395 119729 36452364 3617440 1143933 12492462 1461288 5796300 1433739 16325338 461918 16850536 6031167 17167160 228000 146680 236361 5907399 856292 3139323 252194 1963126 1246462 1436459 16536657 15367914 11880638 p-cresol-glucuronide* 96468 19633 323386 2272809 336491 1630669 2915333 4613574 835594 4113345 365032 8757726 1803006 10181851 30138 769427 78440 174818 81768 79368 83199 4694183 8656934 3767559 palmitate (16:0) 11546732544 7578372096 8451629568 8710099968 2787720960 8911284224 7034399744 1154122496 1832443264 4722945024 5413975040 1943375104 9749425152 9088427008 5594152960 6529897472 4537610752 2990601216 6921944064 6532479488 4515585536 5766439424 5297244160 8515915264 8559811072 7656937472 7452007936 7860244992 1994158592 3315331328 6325616640 6709971456 14394003456 9303981056 13713769472 9709982720 9625775104 6473549824 5724700672 4540379136 6675751936 10511217664 7848740352 8088188416 8382734336 14433754112 9232375808 11148504064 5220631040 palmitoleate (16:1n7) 2761816576 2019583104 1210184064 1642325760 659007232 2657486848 1031112192 135463760 244198192 618656640 422697568 321732736 3550119680 3056870656 554984896 2412564480 1099132288 957187584 2996849664 634885440 1573975040 1828874496 906410688 3817275904 1793909632 2943051008 1806323456 2418890752 242066096 659589184 1171866112 1298306304 8116926976 2546252032 5484172288 3555113984 3478956032 2156342528 1023851392 980396736 1938423936 6787455488 2304722176 4151361792 2999459072 5641909760 3154433536 5310317568 1622456448 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 21175018 22497588 16664332 26557848 55803100 68685008 17147868 49297892 26022412 41861944 25073240 43454500 38772532 78914216 27758932 60148776 56466048 66825028 60235372 16491127 57374280 90713840 34172136 21610658 18326684 28521694 17430504 16136591 10450080 13831269 11146317 9254549 21326764 20761492 18090580 36628744 18649220 10684375 22681252 18618528 23669332 55810200 37805912 11050587 17918602 27612100 17354748 29140768 21446858 palmitoyl ethanolamide 14047909 5582466 5587733 4863525 1556157 8580114 2927200 907325 1688078 6843166 4433191 960815 2380926 8987667 6898146 3165591 3532554 2255747 3682775 3580295 4848516 4395860 3238886 1801624 35104716 1182834 2896338 1643251 922002 1346295 1807214 2608771 3844988 2427254 3951716 1279000 1729438 2765792 1717692 1940948 1454967 2174871 1730383 1491516 1160289 3538235 3036418 1469260 1532547 palmitoyl sphingomyelin (d18:1/16:0) 261731232 279056864 256117600 305531552 268879456 358208544 235001456 452044608 385736320 197530560 271533120 289975456 285447744 548634752 270992736 329945792 327389216 382020192 347090592 189222144 319715872 291931424 254920432 195542032 262660496 470564864 179903600 176302256 146806912 150758976 184600880 141267200 194200128 189707872 194130208 218890560 157340176 171799824 202651392 171688576 178442416 218756320 211750192 212598816 235163280 264629824 229648352 198461664 197653072 palmitoylcarnitine 77077424 61735592 14755055 99412544 16923872 16075704 22209540 54032480 45515052 25234136 18900148 53578652 124229824 112279944 30500912 16187168 31747708 21883648 12633064 32193590 18257682 10454698 27373820 84073408 136985728 17312700 12315390 19416838 16941004 24663364 25534746 9677121 46764048 36472176 37374236 28306160 79025776 35561672 42546920 46769400 39694052 64116696 106933184 23095568 61112144 38692712 18751500 112090280 54347776 palmitoylcholine 2213985 2253439 1344177 845691 235180 604370 575016 1196416 121882 442454 617139 646814 3366507 1328490 903821 694395 366710 382036 370474 2140091 621371 312430 408911 3627765 27254224 270999 4246721 635250 466363 1432072 245960 1000433 4326756 2947186 3679238 543731 4531373 1439835 9554124 1096069 4101073 4721240 3269737 450548 973311 1614520 2563019 1831592 1352329 pantothete 319394880 361535872 490848224 500070016 224889104 420563232 457996576 42458800 34432472 481018688 485726176 97905200 180942240 169922432 710086464 217455360 220451136 274439328 423551072 500405856 325065472 480234944 495353248 107794432 815010752 95559664 223664480 114936824 84771176 125607368 115797488 150333056 203490960 212397680 154543792 125893608 202743088 156341776 207425104 205092320 155161840 217953424 176638864 149266256 141402624 231570896 188333376 203624944 165228176 pelargote (9:0) 2511394 2858779 2156916 2588449 2048166 2377971 2009597 2566166 2858811 8805216 1880863 2785303 1824059 1433641 1006624 2321566 1383425 1583866 1826280 1658582 1439925 2082868 1869300 2341139 1810837 4032368 1336198 2578101 1585212 1846057 2270119 2661081 1309802 2372990 2740141 2707453 1743449 1360477 1594885 1891801 3380367 1747038 9303650 2869510 2635011 2879330 1899675 3444979 penicillin G 7029668 18140878 22231750 15789556 38272368 550572 1794462 4624245 40917480 40266904 26650236 84041760 54129076 17066396 34094352 phenol sulfate 121287 126550 1393062 24554 879919 143313 234282 1126904 4106642 2939688 156011 1147293 33334120 25473036 1792587 447659 1054325 4943707 169969 49608960 451792 3543507 132313 352370 3990085 3071887 381746 873827 834741 490178 1246727 317976 343472 829830 1202132 254539 659874 206739 8812821 1023523 383566 2463268 237712 2299903 1141722 455751 1266888 1125445 2082862 phenylacetylglutamate 1280813 129583 1578049 2782134 4956604 299979 412259 202496 3833197 153860 241275 3904855 6099515 415731 446432 456565 197061 806668 148588 848193 621618 591834 556368 3721867 286225 855077 475479 1167126 837984 342159 688526 860278 2597068 phenylacetylglutamine 1288989 1381733 1794662 19999534 6082293 5415372 2759526 1588058 1331714 29295004 36072648 2786381 75441448 10369296 4097008 2931103 7478247 3395734 8962870 93868056 5698275 11204748 9170126 374624736 46667008 3045903 44749540 20302668 31311266 28229788 63680512 10234224 70786512 61620892 43947248 27419306 15391025 5948269 317652480 62345960 58593464 35490336 17864444 83350584 64925932 46287784 66997224 93711048 152344544 phenylacetylglycine 15958 33475 518905 120123 227298 2340721 258299 170116 30143 1023228 119855 1405312 63688 54961 48565 85473 133391 173535 16599 190258 96328 146355 15209 85765 98139 115908 44280 phenylalanine 3943616768 4189938432 3682873600 4313251328 2128187648 3686207744 3120392960 1747244160 1877781760 3341662720 3549937664 1788873344 3553751040 3802978304 3344297216 3110302208 3769168384 2880444928 3457363712 3388024576 2946819840 3089572864 3300140544 2430040832 5661221888 3782029568 2821890304 3508972800 2868547584 2644720640 3039017216 2646676992 3022707968 2968187648 3420847104 3700266496 4049905408 3374095872 2781471232 2730709760 2041092992 2508852224 2213260544 2203459072 3152096000 3772989440 2848091392 3447649792 2676928768 phenylalanylalanine 4321844 5106598 2470283 3870468 706862 3372562 3437054 1207317 96017 5947905 3358298 454899 4724216 3913292 4522176 1100339 3517330 4180576 3990602 4734584 1509480 8016656 984610 2902256 1210158 8026621 777770 10372489 1090342 973279 4215403 1350948 2447298 1065164 4829578 7758075 9055066 2598907 816673 1945506 476228 1335587 2972408 1371134 4851446 3023710 1505178 9344166 1214714 phenylalanylglycine 53178560 55704316 14474909 30219558 7313302 54182484 22594352 12061001 2428530 30319328 19802508 6075239 35573628 16048250 33053996 24575700 52052992 37611736 80194504 27867686 28911632 34185884 13960104 10901019 4558301 102982096 2697533 78941928 5144429 5178166 30931518 3752937 20207790 5203555 40329416 59135280 92084192 18453372 8141257 11395710 4064227 8083468 20622004 8220102 37316676 22535208 6639319 64322952 7466170 phenyllactate (PLA) 153993 219857 256229 143617 91355 214764 334899 1863982 117060 140206 438203 112446 2057231 133194 101078 431057 497884 133540 2643438 1506093 3610246 133524 66226 58027 58637 181270 104535 144777 65266 67479 61171 93302 61739 70736 44647 132686 79540 phosphate 558019520 642686080 861706624 915988736 738724608 890462336 838813696 406258272 335574944 608989504 785225600 434652448 848975936 525059968 795162944 791492992 666306176 528822752 688330304 915041984 789765824 665075584 794336256 760508160 1120205824 773557696 1053027584 654515456 485422688 594378816 678957248 591519936 938926336 1026631424 951825856 906873536 923533184 404977856 704644736 976820992 717681472 606352960 866387200 754513280 890153280 976080192 943511872 1058719360 851007552 phosphoenolpyruvate (PEP) 84658 145564 564062 1246588 5518315 874665 209522 1066866 1168155 942887 546500 10356686 21030544 85667 582935 2770083 946605 1570515 393773 667315 2920930 307710 1132945 19891868 739075 11310454 8347138 3060307 15866049 10952024 18056332 5586804 9594570 11889773 18435028 4057965 4787654 5780831 14825078 32889020 12062742 20072724 43490312 25279872 5629564 6675826 6963999 7288356 15009437 phosphoethanolamine 10619374 14681995 11535778 22931110 141742432 121316392 24127704 27123252 11561513 77286536 13432576 62908488 36972328 7754219 137020640 179198032 46563496 45320528 70270664 41930856 115568192 68620496 22670914 29202440 7699224 126363832 38252328 19091262 10908281 14500535 18133156 12819283 25739320 32372124 31709184 15327216 24840280 19240944 25319664 32548754 19213472 26278014 25133248 15178954 29633954 47612720 24524532 45024640 18608898 phosphopantetheine 222845 208069 457528 489737 1062395 444891 316719 611481 129741 1426192 49616 252699 172240 1172455 230561 2539031 536263 1287202 906042 2487197 2348963 186989 84423 909901 1316030 1236134 2069805 1545401 1096784 383473 1594606 755461 2290798 2084445 932138 352203 1148795 543480 165718 phytosphingosine 6730401 5002270 18781664 67043168 2690973 2272346 10122295 10422980 611227 20853892 18183188 2145472 11277646 1104429 19912556 3785030 11742950 9088052 2402502 4572452 1001589 8348884 24686586 2606228 6923345 5419350 12195813 13112363 1200721 1799413 3059718 10017974 10977473 9337776 24869532 1944875 9316000 523977 9165577 3053501 5799442 9350423 8296670 4006570 20712892 14214731 7408335 5417503 1842034 picolite 2289231 3023432 1197777 363624 4455624 2018092 793865 1886238 9239056 3170648 1433247 2180939 1801768 3532058 1765934 1519994 1332742 5989225 1910200 1654640 2353695 11337988 972384 697628 9858307 14335192 2807147 656405 990838 2512753 499978 918723 657051 1853405 1867151 3110953 3750775 30305106 1302440 9474694 9007164 378100 765375 1330426 6886623 912161 3191702 pimelate (heptanedioate) 85333 211893 242906 92862 196427 136139 121554 174751 229548 332714 122765 110088 219147 164795 216048 335209 261546 594467 135799 262831 396974 291250 321361 121580 363118 214413 289536 249331 554345 447797 476540 392082 697173 569312 pipecolate 231554032 261403296 90757336 169040208 195122400 130771328 76833264 226738512 139836160 117746192 88164512 117701968 115805600 283500416 275885888 139294464 64546344 275119360 84380152 251984112 144784944 256439376 78069232 58275376 288088608 243645488 89896448 31239626 24892514 29231872 26392982 13546881 30971290 138559552 41914592 53494264 116436248 12926840 81354616 140981008 108617208 52782224 98320424 77005656 87990288 119918096 91701416 84374624 60537064 piperine 111641 491807 8378458 373618 538212 609736 914030 1482806 1811141 3043751 2293251 888056 5149288 226444 10618156 281124 138482 172612 458185 591988 7615067 13312400 378911 5063981 8592879 564703 1943022 2274113 86474 64278 6245432 1246196 2545528 6971775 643912 pregn steroid monosulfate* 2515550 2718143 309025 161565 3939394 521299 99596 111700 963580 117602 663594 449510 1000114 1673014 4274433 220397 1241598 1141756 1165299 4556278 4076246 108221 105252 6040027 82047 511818 59990 44468 190060 35868 421712 103290 80400 81729 253517 pregnen-diol disulfate* 1105931 1351432 475193 123282 4186323 938989 800178 313570 9686887 2443360 55281 1100891 682040 3748468 7357278 283327 454379 703895 311707 933071 1448850 731164 414431 54940 626880 413757 400926 129484 31649 29958 61014 304438 442961 271101 199733 60792 127431 72463 172021 458322 105671 429978 187833 1051565 pregnenolone sulfate 3444350 3629347 76349 1382833 115650 72566 122602 627550 895448 112538 4210179 749508 1216884 80340 867408 398432 603634 2181804 3830408 1131326 121081 pro-hydroxy-pro 11805142 16955880 21789382 10768291 6272517 16695142 30295320 11238770 8544828 67962584 17159316 6614953 11360989 43144296 13297920 11443269 24876570 15092436 28052586 24705468 19326124 40848816 20289888 1514583 4755679 13957014 1394231 95981640 42693632 64699484 17228418 34337920 1145489 88055080 160334 51686320 1179461 674653 730094 1262916 1933817 1071874 proline 2391854080 2703611392 2109563136 1958723328 1375363712 2036793984 1416536832 1134712832 1535882880 1253148672 1884756480 1586041216 2920885248 2391577856 1776572928 1460975232 1826505984 1749106816 1579197696 1994138112 1762211072 2634618368 1669935488 1953069312 3825584128 3005128448 1607465856 2539767808 1454042112 1555961984 1308698880 1414763264 1575741440 1836723200 1465384576 2132360192 1695709056 1920823936 2383088384 1616034560 1161044352 1146234624 1623368320 1254787968 2119842432 2362051840 1609123840 1794910976 1489147648 prolylglutamine 529409 504831 222248 1700924 213326 877384 291951 459068 783713 140170 2332258 486253 826304 824844 1419159 626002 1025778 375468 1207651 917084 1109622 4567874 289320 5690937 627735 1141948 1677170 497820 1097451 1036630 1837099 6196717 6432901 1953839 1994953 732733 308527 1181834 1172245 1093973 1831362 5341780 442869 2401210 1296509 prolylglycine 3937222 4770352 7950983 13582643 3169045 5715301 3928460 1953238 1123943 3992882 9390186 3288797 16059566 9241634 4308936 6142049 9525616 4604525 6638322 3432409 7784443 5035243 4132467 8684442 13124151 21351766 8232710 37368600 9510664 9906287 10208453 7428815 8659884 15775475 10924987 36512128 26070524 30553752 31796900 11382132 11701324 17573290 9183663 9679129 8977022 44341680 5118255 9561123 17654554 propionylcarnitine 25128570 36809088 102161072 184924224 321416256 140038288 146641184 58906836 37632872 77732160 87752816 65041824 213666880 19169790 130594432 283757856 129588384 145203200 161997056 191640112 244076432 24539996 461191456 223331840 38330132 233231632 37846432 668776832 52436288 86789000 447967520 49766760 247973488 334779776 175519360 387492896 547059456 57265364 221517568 510714464 218851408 292385888 482054688 385229664 1457424256 308490368 178165056 1401426688 456640192 pseudoephedrine 108295 65704 165648 96037 182316 161668 111987 945906 99370 11655522 128364 124439 190992016 157615 148462 182025 78398 97553 138700 171042 171784 135408 222760 134199 175734 152713 129235 181972 229604 pseudouridine 9104731 11299420 9314911 5373793 8950960 7636480 5950709 5221242 8445370 29065076 7048901 4847299 3177760 19266108 10255147 5084849 4594489 8947218 5153170 10036149 7816741 15102896 7151810 827504 42310916 16099491 1333997 1351245 868237 1065635 580906 494265 890983 1004363 1119083 1094668 1896887 3126011 1382814 1241641 748303 1865271 876425 1496851 1464775 1795135 1058892 866672 1174055 pterin 534583 863863 1674861 1326480 2685212 5199440 1004787 316326 3436438 1894539 522242 2678180 109569 2982201 3772330 1591952 2012183 2125882 1141917 2444020 3545069 5022085 3996548 337493 1610330 4941648 1368901 1157067 2113964 2275490 1869573 1956669 6669888 3821944 1803318 2875157 3320764 3509959 1992697 3208929 5516425 2836962 2301776 1624652 3005031 1773314 2522325 putrescine 14082068 14571105 12464505 34733296 40275464 14351266 15060275 56082176 1948699 51372788 11608992 28618972 35254668 14619648 14906910 4217629 14882621 31263748 11023838 171465088 23549956 77174296 13550229 43793236 107879808 15144972 42268216 12695841 6342819 14501257 5794361 85939104 7161912 38552440 60667576 38844232 50528940 1701268 25329880 40584288 35159132 29820844 48274308 13656548 2715937 80550112 43224952 8128240 46069448 pyridoxal 6875830 8830242 9522218 7437629 15075920 11941505 12972743 14440356 7812521 4560720 23862066 2930160 18630070 9111613 4753595 5638485 10064116 6134695 12296665 9898654 8786450 14051016 10444257 6703278 25650200 11366347 8703039 12516787 18337040 21458068 13837343 17431364 29256994 13197534 26530674 5954074 20069920 20440144 30400214 30307082 23922960 12364771 21932724 23145076 28725148 25243840 18321056 pyridoxal phosphate 363492 738503 104144 578881 134724 1394238 485866 507241 342968 430520 441498 803510 1121479 579809 464555 1108666 1120099 573281 310737 720407 450982 664083 909907 1318410 724965 1144029 pyridoxamine 68304592 72802232 115302280 112312424 12387715 37929048 62249272 1791180 730462 33771504 73432680 3815463 5310798 28774726 81635576 15128308 27659164 16964364 22361256 75174760 30786228 28302276 59557980 4924276 171815840 3019639 8672482 21151720 6179763 10120014 13618879 11838557 8459644 7345117 10864494 27488364 26317586 5541922 8220789 8903724 7230934 5875946 5694182 6661227 8670231 9148469 9642583 16895078 4693845 pyridoxamine phosphate 1896093 2234666 4012611 6010741 4545848 3025920 4738200 430501 77273 2847794 2922482 2668151 8982364 1418994 3988586 3432213 2359243 4794697 4715862 8950149 2401529 3867723 5091950 8440602 1844268 3096505 13991349 12973521 12008200 11772048 12306927 8241774 7952638 13996637 12626925 16044520 13600088 4766955 12030590 13204574 8572042 14888810 15691511 11168008 11262790 12505933 10193656 14307271 9388746 pyridoxate 2583298 2981052 9389627 4315415 993118 3053303 8444561 116900 222973 40610712 5371700 439301 4572980 10268286 6836174 441897 706978 745096 4149677 10029611 3813863 2315745 6633279 3523318 16867284 259227 10169476 1721843 3101751 2661142 4870921 8120887 2268121 7314541 8389678 1875033 3564570 948663 8933064 4487316 5898395 5216137 5957648 5784313 4447500 2671588 1037232 2005943 5438643 pyridoxine (Vitamin B6) 118819 157524 348201 622267 54652 395717 330623 461119 544443 32213 123936 355802 102411 81335 205109 633302 274344 459899 329659 24587 922862 66560 681362 672690 402431 1377233 61725 40341 63313 153246 51324 238160 68076 25553 208254 47355 18383 19731 65859 pyroglutamine* 45699832 45895844 31591138 27201410 44902028 22511220 24780998 17956530 14264643 39347168 15044737 13903312 24722946 8491274 53988920 49460708 15328464 22336358 18641146 63442912 13851827 18138548 30726876 24374348 6039529 18039128 13815118 342077760 21519336 8272572 29301248 19489012 22752850 261873824 25408716 134927776 263596544 138045104 39062248 256151328 108479960 338639872 14901615 86061416 64479256 59633960 33284606 318216320 40996500 pyruvate 91181 91125 197075 68528 132777 88925 55512 33777 68887 78817 108159 431582 628039 118222 67276 131397 147622 283217 165590 224168 146904 1200180 75786 320283 1567860 96644 409389 32599 475637 223261 107841 160171 45242 215183 423102 284756 149387 84037 73400 107876 215696 371001 101241 170433 125736 213315 239908 640239 quinolite 110748 102373 248971 103878 99143 689096 286587 2298009 150821 2263279 406388 2518870 478001 2722480 214529 322481 1641184 636285 271612 1005679 394962 1901456 149282 234376 82238 220575 43025 648915 467144 449673 337606 119496 raffinose 331808416 29876 189649904 53473 289024832 25018426 87681488 39612036 228424720 32631312 304669216 198265664 515461792 118808464 118316 288269184 155098 246986704 129711280 109323856 135857200 273809408 238511664 131543816 retil 1105847 468265 1720408 4915292 367600 969435 94269 758070 644022 8060150 574351 1288502 665229 866699 436256 3038480 450798 311391 1479771 1133380 426975 5060644 450064 3087384 1669101 285823 5929382 2020355 452758 861184 9952176 1051120 2252497 158566 43809200 1489768 3851679 1855617 409443 958285 retinol (Vitamin A) 27099050 19447016 82117184 404884800 602683 1324854 62435268 3480764 44552752 39639564 525788704 5181887 123611080 2547276 57234396 3890283 508650 208009360 533301 14605713 19527524 19861744 39865796 15170399 249707104 15442336 1799812 1561720 30983828 15751439 3243829 319751232 91651176 3952138 13637190 872504 442169728 6107690 30766132 5260192 650914112 4511650 11383801 10418763 2263331 2205529 2001091 ribitol 4354178 5886426 6405848 7883829 1881147 4960057 4231236 1192402 431029 2847399 5584190 832725 1079748 2818696 4001134 3441944 3938855 2304875 3963114 3333950 2872898 3129093 4245457 1443190 3366889 1004742 1591184 531758 433907 132710 1047510 86749 2810110 1684457 2246381 1001686 2676415 162655 1026199 1679842 652191 1816656 5318468 1677244 1610127 1390121 1044518 2457477 1314357 riboflavin (Vitamin B2) 5031293 8515472 7757751 7685143 4910740 10304922 11827833 423201 490692 14876728 7045879 1792098 2398513 6563439 10185272 6824561 8281850 8000874 7490369 12573804 8172010 12962681 7741165 1501189 7140897 2139485 2948988 5491136 2623301 4613959 4638924 3819611 1401021 5198406 3616972 3690337 3760232 2408939 2723132 2553751 1621186 1095013 2565097 1782909 3383847 3146090 4970587 4401966 2475618 ribote 17720402 21217732 39147616 24076108 6103774 24085496 29921856 2406774 1325812 14075790 22513314 3294938 6565016 6294053 18681540 7518355 12835448 4778015 9948606 35337784 11911900 5696325 24405116 7974184 20633912 7260593 10958470 10251301 1493871 2309114 10673303 3666806 9311834 14522050 12287646 8485207 15591745 4091330 4867721 14689796 3734784 8762398 43198224 5624331 6546944 5672551 6356279 7681248 8228477 ribose 3156702 3012595 4429205 1739764 2294896 2028884 7266736 703406 1438664 2805682 2281417 13188312 2284266 3363409 2240995 1369385 1488183 1897139 5376767 1975131 2300161 2614950 6616450 3406716 3413962 6009716 7845186 1785718 2844149 17967108 1994720 7094044 10624133 40817076 13426270 22195344 1734404 4435101 9255024 3632825 2989733 33581680 10281028 13013561 10798943 14076864 15863053 15593362 ribulose/xylulose 140814 243503 292133 250780 363004 257556 257120 490338 197489 234585 334583 1321456 600451 357324 345487 312005 146954 448803 253424 317472 324895 308522 1111470 300098 410985 508910 594265 142090 318456 1144042 232685 1069212 497770 2589328 673932 1652799 358124 489609 609936 624049 665831 1743180 496975 1099397 1445461 2196965 1141474 1801484 S-1-pyrroline-5-carboxylate 2026849 2554959 1738827 1444807 3041444 2965897 877438 1967650 1812427 1485850 2714195 6257914 2207344 2329955 3246748 1835769 2391027 2467293 3633985 2955105 3230628 1507375 2476435 2237512 1822495 73253360 5637946 13982550 19785988 5378733 50496448 2435926 26040660 3122725 3145057 2764864 4482426 7566032 7698491 4850839 2036702 1546013 3276727 2753560 6870725 7755405 2532826 2648861 S-adenosylhomocysteine (SAH) 4674253 5179734 5055178 7997275 9060910 7641130 4629768 5146206 1223071 4713219 7582248 6306975 24892248 3429966 13366966 5522201 4286286 10653881 5796214 12928563 7857045 23246592 6296489 26754436 854641 15505940 26162936 17151248 14599414 21526872 24442260 25111200 19231564 27385350 23489922 30378358 19970084 5924786 21371024 24130468 19728432 19374560 36500248 40466908 22852632 26846584 29482484 35971248 29905352 S-adenosylmethionine (SAM) 901880 1147122 540990 1728428 15235896 6343769 26101838 319629 1795319 341128 1040399 1677221 434051 368695 13189671 5354594 2822842 14393592 681858 5796117 9184283 362018 20395780 223965 333752 3755587 344285 217656 318296 277700 370253 301433 S-carboxymethyl-L-cysteine 805759 828847 2121258 4498054 1197302 2738073 446835 327175 558738 4709237 3996621 885572 5560647 538320 3932813 2254200 2297588 2585468 2033012 2196102 1734111 2637230 4037521 5488458 6327791 3828906 16865850 1610865 2138315 7691417 3358885 2812175 30752850 4702235 72316896 11239724 4559275 15619518 34131568 14566284 28863664 5403750 5297361 6490840 12030882 5696230 4523373 10176533 7327487 S-methylcysteine 24616884 30068690 14277784 33490230 15317938 17812976 12656089 9931051 11669151 24856768 21051196 12158030 21629074 6638678 22578760 19382096 27131032 14659827 19342058 17555546 19390808 12002474 24661248 9632681 10533421 5655414 4139577 23344040 7966290 6396820 6515788 5054255 9137582 12756603 8968741 13292474 9155603 12221039 6375325 46987772 20929372 57377212 25058104 5957605 12374352 8233156 7313137 19588500 20168920 S-methylglutathione 2495229 3507460 733048 37305556 6477260 3055226 2893768 258656 11361750 7915269 7563940 2050682 3452765 3533967 760643 670113 10087221 1884563 76772312 11570904 25148836 2538286 8057818 1672059 11925567 saccharopine 67173 84444 58295 70933 233798 27451 42810 486085 214341 184375 165523 43274 170792 172868 581666 345580 296026 116151 84301 57014 95390 57172 47154 45075 51612 220605 168417 salicylate 74795 149467 151014 251187 130294 159481 129254 153904 216688 248231 100732 206593 108060 220580 151461 90431 110269 290986 157597 128744 847436 110093 241049 599804 206720 174898 80549 237474 159225 153152 142227 170835 77449 197426 182170 123926 188354 204596 245672 217122 197897 175876 148851 274086 154605 181885 120786 165171 salicyluric glucuronide* 53585 34352 40272 72414 34488 27765 44161 23739 28777 26217 20248 51990 61813 34713 26266 189902 109730 43525 156464 25292 90608 22604 31765 23610 90463 27729 65329 68457 32359 81026 31548 41164 56438 42587 40764 sarcosine (N-Methylglycine) 26759546 30144152 3748771 6752823 4535677 6459471 4872884 1022151 14556488 6056310 4885938 16916440 24017046 7515002 5071034 8671975 1159589 10732482 4838119 53902020 10845705 14055360 6115819 8795141 49449584 10325549 3238643 5482959 1607346 2869685 14480807 1005850 6826363 1228328 4294383 15064320 1160043 13099504 39301492 9645146 2401136 9554599 9465668 1499212 2660565 2615603 12721602 8494346 sebacate (decanedioate) 415397 699220 363911 248002 240539 492721 350836 81255 309556 105165 386106 254024 269874 279776 209101 260775 226435 313567 284977 207590 318102 177265 661989 773556 263597 193663 392030 508734 284136 444098 304044 373227 524091 387682 525777 701008 294018 355151 257717 343153 384881 526394 435245 743143 565946 745162 496870 508925 833517 sedoheptulose-7-phosphate 133577 184664 203967 286294 613565 575577 273815 3232486 504122 795974 217118 868563 6026865 995876 273608 396655 586760 361546 661579 230992 795360 568571 395149 5861415 730183 3391989 9814193 1154402 16011911 2760701 6376286 2065036 4914680 5190682 5815209 2522792 1655069 872717 2984883 6037946 2200563 7156831 16693284 19374928 4696422 3529067 9931426 4274119 7240523 serine 602444736 705988928 584518656 609967296 423660352 749828928 309907904 244583120 162217072 516795840 512141792 266528896 628699456 495387744 467869024 584533696 665929664 443919488 610679936 362472480 479800448 387095040 414416320 522120416 1106075008 680964992 536894720 627948800 439274848 457133024 510499936 442161280 543553600 563704384 568182080 648767744 692878528 700037120 567523648 620937728 506457088 508016896 434489632 401489344 505283776 780331264 436881856 554691392 576775808 solanidine 55981 306575 840520 1070985 985831 116957 2467201 277559 136997 84415 602733 131056 354631 135566 161460 466359 93694 368449 4808485 389639 230828 spermidine 11935853 13002601 11032497 32308526 9472154 16188628 70702648 25851288 11679570 27832948 27722252 2593242 29619672 30052900 18573396 13264070 26562096 9859561 14115352 14994902 11216346 16024012 11741464 16508883 27914412 16218048 22848860 13892437 6835840 7593051 6369357 8737501 14290046 7502406 21985904 23633132 46068296 8448279 36101540 13363088 17549124 33587816 30266634 16043314 11950697 20281924 18048032 22333166 7941661 spermine 370762 492116 395498 1376292 154194 486964 20258950 377053 240071 858346 319877 181820 1230236 303018 367196 831639 156629 290793 308060 339759 167682 288424 185036 303482 681109 115388 489161 287678 311538 332485 446925 297101 233422 126318 393364 853545 883753 658615 278014 266421 689854 496964 196611 234408 239164 115373 257197 98369 sphinganine 17471340 16796124 10533624 32269414 13923142 33309322 7708122 10700303 10779437 35350080 28815374 20769228 31643172 43246980 31180026 18541696 50056028 37756040 24300052 10562765 13960844 39054824 24435728 5030152 26162610 11172815 23663900 8667508 1436909 3682595 3816011 4350405 9906819 7123687 13089662 3858645 7096563 2225181 11784814 5258998 6001605 16912822 10891454 4143051 15113232 14711739 12657548 5324029 6797160 sphingomyelin (d18:1/14:0, d16:1/16:0)* 19601088 23174328 27563408 24758248 9464948 12823718 30767424 15522354 19580668 7061945 28039356 13211995 27585842 22110200 10995700 14489957 11300056 26465124 15091071 6745305 11838540 15315651 22633006 7472586 6822452 15527574 17802896 11843687 7316737 9461278 10117223 7665776 13035533 15894060 16110829 12090623 13637787 4888447 11966747 11193678 10373481 9840640 15480925 9038961 16177272 22028284 18903580 18996056 15670549 sphingomyelin (d18:1/15:0, d16:1/17:0)* 9307037 10351127 10332628 8087521 4972340 7696512 8949390 6316900 9133340 4493414 7346124 7262542 17459924 11091915 5403156 10551551 7573457 12960522 7291423 4586649 5659011 8383617 6505229 5928957 4956539 11072980 11302514 7573764 4652207 7144564 8393933 4887944 9775780 11595901 10786963 7599356 6565834 4513906 8342832 7215107 9019891 4395944 10327865 7011504 9885368 15059534 13896628 11264787 10388914 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 13957772 16040920 8141577 7266825 5682710 9315238 6217291 5515428 4539301 4521860 6995067 5751246 15329418 5523449 7630734 10863331 5103984 10830686 8233464 5606360 6536295 11436721 6797137 11664434 4752379 7913485 18664980 12068282 5266644 7399213 12178654 8078391 18805552 19642084 17046068 13404710 11416172 7204814 13522881 16578220 14128179 9140984 22730416 11155942 18888356 17657060 19078156 14809032 18809788 sphingomyelin (d18:1/18:1, d18:2/18:0) 13327475 14199784 6948499 5285587 16718912 19178792 6467792 19981684 24474296 6094475 5392254 13576572 9652688 16560750 6703131 23507696 12801372 16110367 26176604 4483317 23210108 15919952 6622336 11406041 2499547 13519898 11455360 12842867 10061537 8902858 8677990 9923620 13967468 15179245 13048735 20113200 7540431 13981203 5600183 7992872 8877253 6878220 15902446 10020927 15921141 11246447 12992230 8131075 18556208 sphingomyelin (d18:1/20:0, d16:1/22:0)* 73755984 85445264 77809720 113042056 52466324 56782876 85351312 23940388 14682115 54813476 69257920 30184018 56382540 45338748 67494696 61581064 28573914 48919752 62839072 42930880 58843456 79039080 59393796 37010152 25088092 40257792 86414368 42680696 23271460 25365060 41337448 23851568 56239184 78308896 72855328 56165172 54469420 26559000 57544940 84093008 37226692 34313320 79839576 41816228 65179896 71577208 62860148 53180784 63969088 sphingomyelin (d18:1/20:1, d18:2/20:0)* 11103002 10998864 5809736 6809728 9721676 12434950 6343333 5515745 7765300 5670204 3588118 7020767 6416939 7647065 6040725 15444906 6363954 9133382 16480647 3831380 12483432 10870367 5497263 6269745 1524630 7074436 8431780 7543706 4170278 4282556 5202322 4297307 8403945 10358255 8405006 9008394 6354554 6123662 4437276 6930350 5615191 4315327 9222181 4901763 8203538 7845874 6714683 6413045 9560747 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 16259316 17509472 20067602 17671936 4554630 4544716 20914964 2150976 2619626 8215695 13125739 3504856 13938694 3728755 10889093 6969053 5192336 10122666 6095623 10176236 5034131 6003406 12116558 6517685 4556824 6105085 23523502 10098801 6989267 9762503 14236499 9157598 13805734 21499076 23572308 9010207 11724634 4763948 16647194 9708646 10198255 4270769 14480821 13488961 19891204 18029628 20511240 12554865 15501986 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 38777680 42225924 36372640 43947124 26030946 28372876 37794588 15901536 15725760 18811348 28615724 17038246 46517232 24538416 27765068 30501138 16661452 42787948 33382680 23760708 23476228 31335216 30554988 21566738 8341036 28035936 56920268 32388716 16607119 21219176 23625940 21499074 35311448 49042924 53414064 36739036 41117764 17003864 30593266 37315800 23069782 22711436 36030068 29408094 42322200 56309180 43551112 36757216 45740340 sphingomyelin (d18:1/24:1, d18:2/24:0)* 141463760 162320016 156913056 250913392 136782336 165001248 147014096 154006528 70265376 99441976 171547168 109413416 193484848 214282720 205236912 186671312 112296656 219263968 174574480 129481688 179241632 228963312 191173184 96266552 81306096 135467424 164126976 92616512 51246188 75747744 80668272 66114740 135938512 187870912 148506320 141649152 157576144 65259456 108737440 259689472 110241200 165696384 139088496 88611072 129100168 165903152 133963312 146933968 133473752 sphingomyelin (d18:2/16:0, d18:1/16:1)* 15645501 18146060 11646865 10931653 15286320 21969072 11318792 21048708 24726932 9379881 10112541 14486213 20765764 21884072 13278215 21613668 16107102 25689634 26848232 7295217 16543179 17843994 10174184 9426154 4315335 17432880 15272153 10190119 7223449 8617642 8670864 6652373 12006224 13227458 13534307 13625149 12626292 6768034 8972139 11617427 12077409 12051363 13388738 9340781 12960719 21710388 14340006 16413624 14011560 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 13810773 14978258 14367341 13781925 6570269 5338469 13338301 4393147 5380268 5449256 9152889 6416284 16989328 7124045 10776974 10109697 7525116 17236840 9393317 9959950 6216650 9149301 11227467 7953586 4183143 9535277 20636408 11408631 6980663 9758188 9857767 8960677 14083767 19284596 19021048 9618933 14623162 4401124 11163430 11691325 10173629 6447003 12905672 12349144 16240943 19062080 18623988 13815066 14680825 sphingomyelin (d18:2/24:1, d18:1/24:2)* 32700896 34734896 26624464 32501628 34943248 51528492 24226992 31602538 27891560 25345558 22837344 30152412 52562716 42762912 50937888 47026912 33392866 48045204 44203376 22707408 36885432 44340216 32362644 25219128 15517849 38028428 45975480 29181430 13023638 18482640 15875225 16987164 34961668 43464800 42028288 41761944 42687712 10321460 27570052 54638908 32858496 33700084 36742140 22260760 31733704 60093928 33418774 33938048 35141108 sphingosine 64990588 58140504 46331596 142597536 18274534 41778932 21739552 23220176 34533540 82607016 62711236 25106052 114137296 119319096 95839664 24631796 72523416 57234552 26911084 56482268 17841752 107259224 52999384 44780192 207963888 39794288 95843800 47926024 12689566 17566406 35588544 20304940 57437960 60781184 103372600 28501632 47416148 14492635 45746136 64396352 45002428 58673136 47600800 38436924 89987224 94885088 81377648 34188672 42403088 stachydrine 3843778 5200014 1617481 3856236 75301976 795704512 3461925 51365844 22092332 56012176 3671393 975812 104965288 10755974 5230906 36529556 271988064 470473088 409364288 273009984 34431360 97242760 9452218 1156777 27667160 223520368 114680600 11383574 10961493 2497661 6665659 3924486 566390464 168541408 28049042 104473440 782898 166996912 954650 63296576 4819722 987518 37332912 138069888 51336668 7101416 4286014 46684592 stearate (18:0) 7059317760 4094173952 3525826816 3509972224 1308966656 4225383424 2405070080 704862784 1149046016 2459194112 3337992448 969959936 4153932032 4831580672 3464127488 2408106496 2067828992 1482415616 2986262272 3075345152 2085748736 3420322560 2190548224 2457531136 7031521792 4190652416 2635522560 2133622656 973207616 1206064640 2142860032 2539732992 5687564288 2960678144 5095130112 2644813312 3122007040 2078286848 2266880256 2009397632 1916683520 3935973120 2554874880 2044093184 2234234624 4945716224 3067076096 3771797760 1771220608 stearidote (18:4n3) 32704838 31937428 51449916 51264892 1425511 11424522 41483200 426163 1328231 17771620 9861285 1635777 23055074 21046854 9862391 43811860 6262633 5068408 11472042 8462821 2102884 82022808 23473172 19548680 24009202 24705762 7752371 17208040 1897616 2193389 13369487 2899530 54739728 5411691 26578308 10209932 28092500 7251708 21808360 7580920 10020313 21252748 31749232 34750864 27951046 43280856 26079656 31997200 6227860 stearoyl ethanolamide 4777328 4898501 3736446 3647632 604104 3875243 2038791 419407 772528 5903320 4968786 575000 976803 6491513 5104859 1326685 1180956 1901620 2288264 1806207 2290287 3871293 2330684 1037308 50899608 792157 1599034 756321 594082 537478 1459904 1470199 1065299 1033811 1095525 662997 1157600 1202111 1206718 1386558 980752 1375646 955270 695701 856424 1405579 1395060 1001448 1125702 stearoyl sphingomyelin (d18:1/18:0) 110401176 119411192 89938296 95965184 130172920 119711464 87852784 117504912 54629348 60620016 97216592 78157320 90438560 136241392 82916736 129285752 63650564 116256208 132693408 57112176 126282480 155004240 78576912 124004296 44328660 99077912 114636128 87015248 55449592 50602520 73924528 54083876 155147744 141224064 105244552 146047856 88853456 77165472 83275112 154806416 104643624 110251712 202981408 74958352 118284136 87487104 96389504 100295992 130357632 stearoylcarnitine 68249544 66164384 7521875 37527580 6457338 11471378 13210249 51479040 23905532 14717310 12641748 31708388 26941940 52594992 12660144 8434452 16413656 18082512 5900064 31607596 10088316 7893042 12834542 25665970 132608016 15585245 4745318 13423401 4880577 6936644 6083894 9099755 16034011 8139305 8049725 16785634 10911962 17491248 14107117 14617434 12705814 15634996 27042318 6625563 23491208 17264066 7416016 28348040 16821136 suberate (octanedioate) 688785 906954 880902 507335 783062 1242135 586556 196504 345484 457843 409907 295470 266870 579536 261499 642948 438476 958816 278117 831306 886217 300582 386942 307094 488537 908452 599765 676025 569570 1353900 290550 1010013 1200816 1074170 1052432 352489 1623935 716495 996540 907312 1310306 1237561 1978155 1347612 1746788 1716472 suberoyl carnitine 613830 639522 821301 1326962 1342431 432637 1544567 125759 324037 245118 520384 191452 10988497 261966 109879 2842678 909568 257243 546356 762756 1232690 7443028 13376963 1190659 2776585 1372025 19928550 1619000 19259612 1258762 3417588 11411630 9097511 1657318 18519104 2722163 7864245 1664880 12225176 14950629 16691089 16767069 3062115 6680858 5735016 2630298 10070199 67572000 succite 4988368 6648988 17723882 11896172 5489789 10574995 23937366 12576242 25737884 10972008 12238930 3597193 6104265 2396588 15566404 10600290 10625060 8138222 6998296 8117277 12008418 33214724 8123313 8201062 167884480 8618281 5421473 7643608 2495981 3316917 11613519 3204711 13622003 4821617 9375616 21605156 22726952 3506920 3531783 3666508 3247175 6006721 9352003 10811224 21036166 14397824 13888025 14776543 7425495 succinimide 195475 251358 310301 526697 233725 466887 130600 302594 940779 292490 139279 284837 101944 496475 565305 1177386 253873 224835 142206 216094 302358 490292 272812 681831 255898 266210 114499 121937 208389 379889 171189 612548 411634 714445 109816 309683 313483 237027 266405 396033 264434 725541 360353 622739 624768 469186 succinylcarnitine 1036096 1416007 10646290 14024764 17078216 8388516 5224659 2515771 734650 2709984 9929474 2881169 30404396 1324152 3609836 23688686 6108163 2552806 9559131 5685440 7256820 2173905 23184398 12039644 336674 38261624 16363389 30734340 27062562 15107815 116644920 13587474 77340704 32270828 87531400 88845776 468673792 7831805 14496144 100824768 33647924 65777028 29945896 63820484 234555584 99802080 55139096 218784032 46761708 sucrose 1517032 2331581 941027 943967 399008 7918498 577519 2942853 5696416 352693 810162 1857595 165287 2094624 673010 246401 2906545 449095 10082295 182662 888562 1032923 621988 718741 39083056 1962375 2424663 778684 369493 2810728 225673 1009100 1948088 2152388 2048686 343511 639078 816480 5884938 334837 993369 886126 1442221 2298666 2788252 857566 422359 sulfate* 2919686 2759095 1842844 2563952 5370341 3949399 2089681 1863966 27754454 6271688 2253992 2206752 55665156 1751530 6858635 3388710 2325722 4642649 2147234 13436753 6038378 3778563 2405245 28234768 6436371 1808199 46148416 2570715 14192359 24622084 48322744 15289678 28282780 37421936 51037636 28724582 1260897 2848666 1847684 46432660 2990667 4004654 21224388 8461500 6400023 24322420 54843876 23469750 25994540 tartrote (hydroxymalote) 1601192 2473998 1362971 1209794 5104847 2834499 1732108 1322846 220780 1456457 2017781 1776854 1143674 709419 860333 2788558 1495081 2648584 3266155 574340 3183992 1072614 1241447 280808 284257 1402225 2280958 199892 709893 1046076 1002107 514196 389098 633130 1603662 438353 910500 390096 1302095 1818639 1851049 345228 1190963 1669801 838489 1390177 335488 1646964 taurine 25286672 32497490 46555192 26582754 77297016 69165584 28091580 60711464 23390462 47608520 41858208 33184600 49172732 25534134 71988528 55945368 45030876 55897492 55604980 33878592 91906760 51462128 31085246 26458784 54907724 64185432 33112080 20056988 8497858 25421334 17449924 21455304 24515828 35822216 27334384 21380496 29680376 14126130 21753142 44106156 21679552 19903284 11636419 34569448 39029008 71758544 29281664 27233288 40003308 taurochenodeoxycholate 42952092 56227244 61403360 5813296 8179921 10797763 31011620 583903 4945455 23265652 38144476 8436718 18499760 38861760 25503946 34319864 23438236 16615685 25102384 8457139 10312852 23313236 13631371 8460263 20198084 18877672 5714357 12609416 918708 26799228 3297359 1536741 8833956 3731141 10779944 10832022 8483352 1718577 7645103 19033092 4050502 8296215 2861609 21018410 3245218 3873038 2889216 25478620 18828280 taurocholate 29694960 40052492 25831032 7502674 23183356 7417837 13289371 557377 6098770 68889560 19928892 14946627 20756592 14126633 90429008 22131100 5513958 43394000 11431954 8162184 8293476 8139867 32433310 3088138 13306010 7983180 3532629 9510229 854965 20422760 1200224 1363480 16242108 2557699 4337756 5232975 7214713 1912114 2008019 19269224 994615 7164215 1977966 13368977 990336 2891243 2262309 10766716 5743364 taurocholete sulfate 538893 457876 549306 5181537 2853049 3672818 723141 489125 4013300 3821831 297138 3045517 1121395 1228730 3038422 2727900 6915365 1220895 1834499 971389 2283257 1073564 1182993 504152 925121 2155229 904811 3498643 422197 424784 811620 665110 1205251 2223679 2446785 3186144 1106415 393976 258346 3372125 774420 724221 696087 946393 1408806 411887 562297 2974402 710263 taurodeoxycholate 3120113 460009 3120965 8683824 3604104 653608 2304244 832860 481703 6198810 1534297 412824 7434850 2041823 2035219 7784245 2052005 537798 9247058 3062309 840998 2280326 132546 2335837 1195944 2366709 446735 24291356 2272228 taurolithocholate 178335 344491 174350 273444 1875698 158574 100724 59379 278912 274508 506428 271065 3632828 127378 77557 263468 307061 55389 1363138 1068312 taurolithocholate 3-sulfate 116711 127257 33574 394767 386123 382276 149453 194823 855516 108455 332574 242085 2996540 522014 724064 241183 158581 163436 2338075 1339935 259813 303790 462668 279661 169756 363538 195295 286623 699339 656404 918962 280117 147602 3313197 952720 150453 294360 216561 419731 550390 260090 2537218 1092123 tauroursodeoxycholate 568349 654927 196403 263179 49588 1659556 36611 56384 1154073 141278 71297 150239 1039748 203803 41099 425346 560660 48330 139346 75847 635839 77379 578482 90466 141395 257207 717441 170875 468807 408395 1076982 673554 tetradecanedioate 237641 194350 255334 232574 183204 159877 237834 153572 467303 207770 184218 127058 962907 220785 202359 214357 205807 138925 190564 205303 256904 193179 285882 1391660 220462 278556 1901040 782550 365837 601217 392681 829288 959327 1888319 525231 400062 918528 623871 882254 822444 1267208 2625259 1068803 531321 235644 405959 485610 863748 690625 tetrahydrocortisol 4058998 3910538 308069 3967535 809929 217127 318011 829305 2096119 313159 857735 175020 1795105 2120970 335214 2843375 965008 6094897 181476 8701733 297027 5032922 theobromine 2007398 1950776 3221132 1453452 6011530 2632707 1213683 955158 9349353 320461 1838448 22452384 813784 833629 292207 285800 412825 186651 142686 516676 theophylline 525140 1513512 1430297 562412 4602140 1795698 927792 1535581 4039544 2568110 1513021 1198659 549618 752894 391566 447636 2127691 1222421 402928 830209 2176592 440091 1413241 407777 1197047 1414067 1468224 1040529 1239004 2947281 thiamin (Vitamin B1) 2209057 2474689 7402455 7179570 4795662 5565491 4968422 882207 82113 15331831 7408867 1931612 4365294 1787104 11721802 3570596 4758661 3519185 4858946 3444355 5097447 5626720 7326097 3177048 9406541 2366495 9299105 2948872 3601256 5559061 5493986 7898531 2114074 9942695 5732178 6229925 3925110 3466906 6035369 9504529 5422295 7286038 8585086 4345280 6093984 5553532 6627866 5634865 7503706 threote 13607867 16639553 82674864 169689456 62123616 100434280 49550980 15502409 10153300 126685752 142796128 14252082 184878320 13556928 65055328 79159728 48487336 31198978 69270536 71731088 68995576 70120768 75681208 214645408 40354672 108390256 320792256 73544472 34240724 51715368 38618724 47969388 46788552 241050368 198304352 66493272 177896624 15635007 108949992 121192752 79640536 35528796 130556632 222759904 154857488 76218168 106293688 78168120 149007744 threonine 1198353664 1352971008 1226842752 1369341696 560826112 1591364736 945544960 429574720 354087008 913444736 1059412672 388496544 1010201920 960843904 785075136 1040390272 1193060480 769990592 1214894336 751505536 1161005952 815041920 955517248 637101312 1983385984 1740864640 790160704 991616960 755617088 774083584 810533376 902261696 737409920 844420416 802445440 1061872704 1144876800 1036293376 803322240 940738880 622040320 685671360 690190656 738735040 849372736 1133357440 665028736 889827520 897660544 threonylphenylalanine 304844 311896 449644 1097244 351638 868801 970800 193333 943113 219771 748113 944972 257916 267564 968447 1523891 117484 572888 1570056 115633 3439168 165450 182935 1044051 350817 497151 851751 1141215 1743867 204888 434511 313039 700468 586623 885735 319103 1585404 610025 559435 2930331 292114 thymine 1380931 1273450 1062676 521503 479567 599530 308077 190033 474163 199071 202096 263066 2324655 650413 377825 416426 455078 340848 249777 328524 354236 197933 176828 3567335 550756 477836 616355 91635 196318 127617 138523 150051 146855 138011 391090 137959 881077 232918 191249 139242 59467 180415 49782 223947 374233 263833 223541 219857 tiglylcarnitine 666231 893485 1874750 8697355 2001767 824084 1438463 977685 754853 601758 5182223 795469 1222531 823973 2659114 1265610 806337 2281382 781568 7301979 1228375 1888011 3393204 2539696 3101303 497864 3229536 9941585 1815180 2182613 2060984 3830908 2846819 4713770 1343130 2476268 1095147 865268 1266875 6523810 2989492 3943253 1855107 2106976 2354406 3553552 2925506 7514929 3353397 trans-4-hydroxyproline 122109784 142082080 83118392 32066880 46952816 76608592 121817088 53499472 93274512 65065288 58359176 50144228 387578400 195340592 60942860 73840040 92650064 109808040 106428872 99601192 118670056 531885248 61029776 87796784 110094656 227845120 32959714 485816960 325578432 262196240 105499824 171067152 32848982 42831544 46356788 355744256 18874100 268540928 118243624 25407856 13585159 20497320 20172548 30832820 37287468 70686728 54095256 27218386 18025182 trans-urocate 1921214 3292285 2989744 1042024 566087 2609807 770737 2005714 46878648 4971392 2471165 1956245 969244 14998953 3235094 2244347 2895199 5916327 2819748 685535 2086842 7615362 1069973 3750190 15366841 144815712 448996 1255879 1014138 573451 540844 449633 711193 1144891 162479376 1393425408 120405480 4626239 1287263104 39719120 584639 499999 885567 599579 857739 tricarballylate 1169399 794324 21261416 175040 152451 819735 585297 332139 222896 711803 365754 459726 333967 901517 622794 1212233 412634 233380 394343 335375 191108 439396 552084 5024271 1495748 1142084 485853 tricosanoyl sphingomyelin (d18:1/23:0)* 33799596 37357348 41002936 54653204 12823252 12363461 31769774 11436295 6051294 30593168 36250016 10705053 45246612 14849859 43816616 16807010 24969060 36816276 22361760 44310424 13997749 15626381 41550448 31213182 20308680 18640188 75888528 42335920 34671772 35265920 43158380 38094648 50632904 79633160 66832448 52585712 58042648 19406444 58642528 38033168 44509264 24473936 55689980 53732724 72516584 63469772 77861352 64985656 63118492 trigonelline (N'-methylnicotite) 441201 525871 2131834 493690 4704007 75114536 1230506 3140574 2108815 74111872 576075 8412849 56729464 845115 4553636 11099155 25563266 75159272 40692504 55779508 4912524 9714993 766648 2495076 32188336 10441882 3583845 1307642 535213 636662 1277693 1336415 391327 54530192 7560472 7003372 11935012 798535 50173076 3667507 21955760 496117216 1135714 6188896 18768212 6010053 17834560 28670228 4391844 trimethylamine N-oxide 1289542 1787731 1222740 637040 733088 874419 2196837 564261 879533 840105 273771 66005040 463939 2040870 573130 337920 827221 656004 700794 507520 1662427 1062251 20809220 2969909 898988 1332579 244153 1773739 1794360 2034378 452512 5395679 2786552 1000295 571111 960276 1515481 12476482 1673874 1135826 8499665 1264731 2579838 2810759 1753668 3290769 5665833 7138087 tryptophan 1254391936 1333126144 1237545600 1490467328 501565088 1142014720 832385664 489353216 553311360 892630528 1209264000 322370112 1090142848 1058516352 1036979904 877076416 1251195264 789536384 1043845696 1043566336 814516096 854361344 1107662464 721785472 2347458560 1409715712 738460032 942312768 724803264 562625472 761201088 839445184 818441984 792328512 1006410752 1116011648 2252456704 1897436416 1991553536 705347008 2410751488 1598526976 624266112 627970496 879352384 1170915200 763503168 884266176 661394688 tryptophan betaine 29343258 35716380 20613004 1908207 40673388 122462208 562359 33573340 19720928 11428583 194679 8004658 56461688 13405468 18835340 13651352 26370128 10295425 47294908 24995998 23146408 19471052 4366479 2201932 5842146 7069433 5623132 5009282 1139165 20818180 10949347 15596118 3216545 10394506 3011336 576779 5011213 1687108 4179408 1350435 3706679 29451394 15374455 72853960 6948449 20255674 17230482 tryptophylglycine 801630 999371 139664 294088 450571 125675 158909 23096 859287 87071 18502 808875 407252 188561 513436 1758258 827696 1116046 168376 591788 877204 65055 77965 82233 1483588 297528 173432 87059 21474 308624 281184 346190 86533 31182 27159 74921 191354 114231 350208 tyrosine 763801408 813082432 620121344 759865088 427209728 703555200 507195936 206141680 359054336 490832352 622024704 321213888 715892288 806716608 586912000 505670304 641722368 480298784 597984512 668685376 529570624 773678656 501973280 614359552 1317328000 796942336 690784128 594575552 510382560 668533568 576161536 660586304 595526336 702327680 726213952 726285696 708394560 625233472 582760640 652378816 466874752 593898816 623602112 549783168 572838528 769827008 554325760 638694784 632129856 tyrosylglycine 6746131 6871090 2909342 5127456 2870490 1865345 811134 1222363 4523934 8325476 1325157 2344210 1444861 6377291 4979291 5232706 4441085 1810785 5216108 1547340 737166 14073388 7834501 1230736 3092215 2000722 4531587 7739195 12465306 2464023 1393213 729885 1117903 2015012 4178920 3743648 6832660 685436 UDP-acetylglucosamine/galactosamine 104066 2920096 330348 2040680 2493371 143644 1945029 1200318 1565403 690544 488032 689342 507564 1041959 663116 UDP-galactose 2797657 285803 751504 1142131 775257 45768 1097912 30944 73698 61031 1700694 1026541 502573 367495 186104 381718 1073777 537356 1261982 850992 4632709 429001 UDP-glucose 80728 40907 384544 50350 65357 154879 625130 59486 53270 218752 1341579 94375 283790 2173529 218297 350034 49021 513689 UDP-glucurote 51952 1971064 3711761 275917 63785 139556 933073 5509260 1384411 1307038 6134969 2736796 115188 18316276 undecanedioate 222421 187944 190089 169632 218147 346465 150160 89677 137258 211534 118643 178824 365667 173364 243014 292177 116523 193854 250942 215466 329985 264762 215186 552199 704597 237481 343052 369193 244879 411836 325138 285298 632670 327958 600337 474951 525344 384180 295575 294717 362485 613820 450504 1056650 659238 978283 751294 992055 649018 uracil 45547704 45840604 138841616 62146316 49133912 34867172 93035264 8630051 21979610 60558252 27387984 35019136 203190832 163182912 128097296 57965840 24474032 31925594 15646198 94520648 19540500 42850748 104212656 89172720 322140864 68742304 109249832 61888444 17894696 104400744 20590760 72061040 25885420 92193528 47271256 147063744 63453348 75486544 55832416 119180400 46521112 33104784 38522028 17729104 27932444 125191928 100182928 82914224 50005924 urate 162067488 176864816 156394352 104536216 68114416 48050600 90142120 36867272 37823268 109887160 138627600 39611168 14378148 85110072 100673464 39575932 50645340 23594868 60213180 104062984 67956488 41453012 69460640 7207305 180323232 18306492 3381645 1409171 768362 1085386 1570814 341115 5429441 3430508 7552549 2038635 62714968 49743296 57521052 4904571 73079136 70560760 4455896 5590866 12122919 3850043 6057906 8290479 4096003 urea 79163160 87549048 47810316 36890144 125774608 38604444 21681776 69866072 168609744 187966096 35957520 30874976 30284556 67306848 134008784 49712420 39367632 79200696 30907426 129849216 52858656 134495280 29727940 22173964 179236272 36764680 11394984 25979664 19720620 19659674 12839796 22062128 15624851 20271392 12249238 32653128 14329023 30143556 13195629 29064460 8978341 19766748 22983828 9223616 11563906 25909724 13226097 8164859 12966790 uridine 32953584 34604364 44384160 49107916 51197872 83129152 55180052 34966424 10174406 38275632 34486880 36586144 118404904 23211006 35646032 61380440 46628844 61700176 69429680 53298528 73823296 41773880 43348020 110499744 27633332 103015408 157051456 74137216 86540208 77614464 77808784 89375248 161960720 213270496 147296656 119488096 171515856 48632492 80228648 220440944 103742000 105250048 172224400 165654064 148780912 172406576 141175328 159255984 186415136 uridine 2'-monophosphate (2'-UMP)* 178762 226358 583631 414009 769698 603431 848440 805813 736583 414511 545196 253728 824058 422617 327955 1089327 712100 194525 617442 265999 212250 359069 500147 27577 259257 52073 293560 235557 105594 92148 47734 95079 51135 70479 270685 uridine 3'-monophosphate (3'-UMP) 1074327 1243631 1443924 1876783 1963692 1858278 1868740 2109630 456834 1534560 1514636 3364785 3543926 363717 2335079 3176747 2277520 6094086 4123033 906440 2084346 2402481 879499 1027840 1270408 3538218 1563163 2096082 1250472 1694296 670500 2128842 1129215 849707 1743156 1264250 1292095 882528 1052275 1880304 935925 1174851 1406526 680584 1122613 1490705 1097292 1315444 728761 uridine 5'-monophosphate (UMP) 709576 128376 127092 95701 174213 36838 547829 6463467 88456 3370247 1317261 1152562 278641 154647 105662 378310 395116 valerylglycine 557630 30135 127457 106315 153292 71135 312702 50500 195614 44794 112046 221661 411504 499715 888390 416933 1327856 168427 310728 298036 339091 389391 981157 valine 1628776064 1778448512 1710016768 1762065536 780189504 1545202176 1143387392 693426368 881139200 1305893376 1454221952 577990528 1515554688 1442210816 1260878208 1162260224 1575640064 1104408064 1331822848 1135620352 1133570688 1338519808 1190389504 941913280 3121624064 1519761024 1077691520 1365094016 1030374784 1068678848 1094581760 1072557504 1073224896 1206821120 1345822464 1551213696 1423816960 1311839104 1001173120 1043605056 827000384 982975040 998332608 772409536 1116294400 1644310912 1036803136 1229625984 956336832 valylglutamine 819755 723791 771655 3055793 387969 429056 500558 1237277 110963 503516 342405 213327 303650 544842 268640 449064 2932423 2412973 688023 291598 905688 1951200 2604000 797199 142484 127003 226977 663210 1090201 1868248 valylglycine 19364212 17288800 12725882 20084020 1147078 10751228 12520148 5243423 83584 18566328 21721240 12609687 11154030 24100220 7424695 37950420 11867162 21078904 21501138 6681587 34961060 4699844 10601197 2436114 42385140 1035987 35605312 2476775 1742173 14893046 1809455 6267719 3302155 20247956 22565860 37541428 3811860 2209470 6935264 2765331 11186693 4589159 12527885 7193221 7097332 28438016 3447975 valylleucine 2119809 2121198 2476075 3051528 322501 1780275 4037050 656984 5429481 1828037 222103 2118499 4398195 1795915 1462516 3283816 1156234 1933582 1746951 957164 9045762 1005056 978477 2266546 4765923 429347 4783168 341312 365245 1594693 255341 954122 863960 1356469 1829704 3389711 569820 924756 685641 818054 1274294 1240291 767088 2292038 1196709 975895 3130268 482952 vanillylmandelate (VMA) 270789 367667 223876 180907 367295 219292 107204 643478 140293 474475 96100 450813 586853 372980 142961 209660 191860 403103 131334 1292033 444303 427542 146621 141320 469743 542466 156983 56994 42856 135948 18653 20636 507288 87283 153242 81982 116700 80728 54583 vecuronium 5729517 264103 601621 2109429 2483081 954000 3217764 1741807 6781621 650148 1966608 320658 523802 6317949 10531948 1202768 4778922 3134527 9426142 9814002 venlafaxine 85710 288845 152566 223731 1135265 1369908 647429 166521 107769 1207496 238541 150667 133412 165161 566965 54321 xanthine 418945056 479358112 1398059392 1624625408 695935808 1382670848 992594816 111380440 143105872 924195584 898170432 304351584 473047296 769459392 1161718656 633268608 835227968 440701408 976345344 1127813248 1034523584 883579648 1265941248 472794848 1412471680 202627600 1043092160 283768832 208534752 209762624 443739904 304281440 556089792 1014421632 839826240 400835488 960532608 379435904 777296384 1551596288 969734912 685903232 1155261440 558569280 629997440 564548800 387123360 480351008 696609536 xanthosine 1590245 1648386 3393314 8708890 8047413 9537241 7640430 791728 574377 5470707 6859905 2142674 1215777 4180383 5594184 7436661 4658552 1645649 6546093 3581579 6796144 3517246 6965676 1033342 7352763 2713994 6666654 2004665 906517 1049506 827432 986740 1427000 1623890 876687 2220015 5239284 5472769 2559514 2697306 3383217 3166969 1836598 1936036 1779638 1721424 1266791 1075416 2523622 metabolite_name KEGG HMDB Standardized.me In.RefMet Formula Exact.mass Super.class Main.class Sub.class 1-(1-enyl-oleoyl)-GPE (P-18:1)* LPE(P-18:1)/LPE(O-18:2) Yes C23H46NO6P 463.3063 Glycerophospholipids Glycerophosphoethanolamines O-LPE 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* PC(P-16:0/20:4)/PC(O-16:1/20:4) Yes C44H80NO7P 765.5672 Glycerophospholipids Glycerophosphocholines O-PC 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* PE(P-16:0/20:4)/PE(O-16:1/20:4) Yes C41H74NO7P 723.5203 Glycerophospholipids Glycerophosphoethanolamines O-PE 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* PC(P-16:0/18:2)/PC(O-16:1/18:2) Yes C42H80NO7P 741.5672 Glycerophospholipids Glycerophosphocholines O-PC 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* PE(P-16:0/18:2)/PE(O-16:1/18:2) Yes C39H74NO7P 699.5203 Glycerophospholipids Glycerophosphoethanolamines O-PE 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* PC(P-16:0/18:1)/PC(O-16:1/18:1) Yes C42H82NO7P 743.5829 Glycerophospholipids Glycerophosphocholines O-PC 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* PE(P-16:0/18:1)/PE(O-16:1/18:1) Yes C39H76NO7P 701.5359 Glycerophospholipids Glycerophosphoethanolamines O-PE 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* - No 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* HMDB0011206 PC(P-16:0/16:0)/PC(O-16:1/16:0) Yes C40H80NO7P 717.5672 Glycerophospholipids Glycerophosphocholines O-PC 1-(1-enyl-palmitoyl)-GPE (P-16:0)* LPE(P-16:0)/LPE(O-16:1) Yes C21H44NO6P 437.2906 Glycerophospholipids Glycerophosphoethanolamines O-LPE 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* C00350 HMDB0005779 PE(P-18:1/20:4)/PE(O-18:2/20:4) Yes C43H76NO7P 749.5359 Glycerophospholipids Glycerophosphoethanolamines O-PE 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* PE(P-18:0/18:2)/PE(O-18:1/18:2) Yes C41H78NO7P 727.5516 Glycerophospholipids Glycerophosphoethanolamines O-PE 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) PE(P-18:0/18:1)/PE(O-18:1/18:1) Yes C41H80NO7P 729.5672 Glycerophospholipids Glycerophosphoethanolamines O-PE 1-(1-enyl-stearoyl)-GPE (P-18:0)* LPE(P-18:0)/LPE(O-18:1) Yes C23H48NO6P 465.3219 Glycerophospholipids Glycerophosphoethanolamines O-LPE 1-arachidonoyl-GPC (20:4n6)* LPC(20:4) Yes C28H50NO7P 543.3325 Glycerophospholipids Glycerophosphocholines LPC 1-arachidonoyl-GPE (20:4n6)* HMDB0011517 LPE(20:4) Yes C25H44NO7P 501.2855 Glycerophospholipids Glycerophosphoethanolamines LPE 1-arachidonoyl-GPI (20:4)* LPI(20:4) Yes C29H49O12P 620.2962 Glycerophospholipids Glycerophosphoinositols LPI 1-arachidonylglycerol (20:4) MG(20:4) Yes C23H38O4 378.277 Glycerolipids Monoradylglycerols MAG 1-dihomo-linolenylglycerol (20:3) MG(20:3) Yes C23H40O4 380.2927 Glycerolipids Monoradylglycerols MAG 1-dihomo-linoleoylglycerol (20:2) MG(20:2) Yes C23H42O4 382.3083 Glycerolipids Monoradylglycerols MAG 1-docosahexaenoylglycerol (22:6) MG(22:6) Yes C25H38O4 402.277 Glycerolipids Monoradylglycerols MAG 1-linolenoylglycerol (18:3) HMDB0011569 MG(18:3) Yes C21H36O4 352.2614 Glycerolipids Monoradylglycerols MAG 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* PC(18:2_20:4) Yes C46H80NO8P 805.5622 Glycerophospholipids Glycerophosphocholines PC 1-linoleoyl-GPC (18:2) LPC(18:2) Yes C26H50NO7P 519.3325 Glycerophospholipids Glycerophosphocholines LPC 1-linoleoyl-GPE (18:2)* HMDB0011507 LPE(18:2) Yes C23H44NO7P 477.2855 Glycerophospholipids Glycerophosphoethanolamines LPE 1-linoleoyl-GPI (18:2)* LPI(18:2) Yes C27H49O12P 596.2962 Glycerophospholipids Glycerophosphoinositols LPI 1-linoleoyl-GPS (18:2)* LPS(18:2) Yes C24H44NO9P 521.2754 Glycerophospholipids Glycerophosphoserines LPS 1-linoleoylglycerol (18:2) MG(18:2) Yes C21H38O4 354.277 Glycerolipids Monoradylglycerols MAG 1-methylguanidine C02294 HMDB0001522 Methylguanidine Yes C2H7N3 73.064 Organic nitrogen compounds Guanidines Guanidines 1-methylhistamine C05127 HMDB0000898 1-Methylhistamine Yes C6H11N3 125.0953 Organic nitrogen compounds Amines Aralkylamines 1-methylhistidine C01152 HMDB0000001 1-Methylhistidine Yes C7H11N3O2 169.0851 Organic acids Amino acids and peptides Amino acids 1-methylimidazoleacetate C05828 HMDB0002820 Methylimidazoleacetic acid Yes C6H8N2O2 140.0586 Organoheterocyclic compounds Imidazoles Imidazolyl carboxylic acids 1-methylnicotimide C02918 HMDB0000699 1-Methyl nicotimide Yes C7H9N2O 137.0715 Organoheterocyclic compounds Pyridinecarboxylic acids Nicotimides 1-methylxanthine HMDB0010738 1-Methylxanthine Yes C6H6N4O2 166.0491 Nucleic acids Purines Xanthines 1-myristoylglycerol (14:0) C01885 METPA0229 MG(14:0) Yes C17H34O4 302.2457 Glycerolipids Monoradylglycerols MAG 1-oleoyl-2-linoleoyl-glycerol (18:1/18:2) DG(18:1_18:2) Yes C39H70O5 618.5223 Glycerolipids Diradylglycerols DAG 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* PC(18:1_18:2) Yes C44H82NO8P 783.5778 Glycerophospholipids Glycerophosphocholines PC 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* C00350 HMDB0009060 PE(18:1_18:2) Yes C41H76NO8P 741.5309 Glycerophospholipids Glycerophosphoethanolamines PE 1-oleoyl-3-linoleoyl-glycerol (18:1/18:2) DG(18:1_18:2) Yes C39H70O5 618.5223 Glycerolipids Diradylglycerols DAG 1-oleoyl-GPC (18:1) C04230 HMDB0002815 LPC(18:1) Yes C26H52NO7P 521.3481 Glycerophospholipids Glycerophosphocholines LPC 1-oleoyl-GPE (18:1) HMDB0011506 LPE(18:1) Yes C23H46NO7P 479.3012 Glycerophospholipids Glycerophosphoethanolamines LPE 1-oleoyl-GPG (18:1)* LPG(18:1) Yes C24H47O9P 510.2958 Glycerophospholipids Glycerophosphoglycerols LPG 1-oleoyl-GPS (18:1) - No 1-oleoylglycerol (18:1) MG(18:1) Yes C21H40O4 356.2927 Glycerolipids Monoradylglycerols MAG 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* PC(16:1_18:2) Yes C42H78NO8P 755.5465 Glycerophospholipids Glycerophosphocholines PC 1-palmitoleoyl-2-oleoyl-glycerol (16:1/18:1)* C00165 HMDB0007131 DG(16:1_18:1) Yes C37H68O5 592.5067 Glycerolipids Diradylglycerols DAG 1-palmitoleoyl-3-oleoyl-glycerol (16:1/18:1)* DG(16:1_18:1) Yes C37H68O5 592.5067 Glycerolipids Diradylglycerols DAG 1-palmitoleoyl-GPC (16:1)* C04230 HMDB0010383 LPC(16:1) Yes C24H48NO7P 493.3168 Glycerophospholipids Glycerophosphocholines LPC 1-palmitoleoylglycerol (16:1)* MG(16:1) Yes C19H36O4 328.2614 Glycerolipids Monoradylglycerols MAG 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4) C00157 HMDB0007982 PC(16:0_20:4) Yes C44H80NO8P 781.5622 Glycerophospholipids Glycerophosphocholines PC 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* C00350 HMDB0008937 PE(16:0_20:4) Yes C41H74NO8P 739.5152 Glycerophospholipids Glycerophosphoethanolamines PE 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* PI(16:0_20:4) Yes C45H79O13P 858.5258 Glycerophospholipids Glycerophosphoinositols PI 1-palmitoyl-2-linolenoyl-GPC (16:0/18:3)* PC(16:0_18:3) Yes C42H78NO8P 755.5465 Glycerophospholipids Glycerophosphocholines PC 1-palmitoyl-2-linoleoyl-glycerol (16:0/18:2)* C00165 HMDB0007103 DG(16:0_18:2) Yes C37H68O5 592.5067 Glycerolipids Diradylglycerols DAG 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) C00157 HMDB0007973 PC(16:0_18:2) Yes C42H80NO8P 757.5622 Glycerophospholipids Glycerophosphocholines PC 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) C00350 HMDB0008928 PE(16:0_18:2) Yes C39H74NO8P 715.5152 Glycerophospholipids Glycerophosphoethanolamines PE 1-palmitoyl-2-linoleoyl-GPG (16:0/18:2) - No 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) PI(16:0_18:2) Yes C43H79O13P 834.5258 Glycerophospholipids Glycerophosphoinositols PI 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) PC(16:0_18:1) Yes C42H82NO8P 759.5778 Glycerophospholipids Glycerophosphocholines PC 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) C00350 HMDB0008927 PE(16:0_18:1) Yes C39H76NO8P 717.5309 Glycerophospholipids Glycerophosphoethanolamines PE 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) - No 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) HMDB0012357 - No 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* PC(16:0_16:1) Yes C40H78NO8P 731.5465 Glycerophospholipids Glycerophosphocholines PC 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) PC(16:0_18:0) Yes C42H84NO8P 761.5935 Glycerophospholipids Glycerophosphocholines PC 1-palmitoyl-3-linoleoyl-glycerol (16:0/18:2)* DG(16:0_18:2) Yes C37H68O5 592.5067 Glycerolipids Diradylglycerols DAG 1-palmitoyl-GPC (16:0) LPC(16:0) Yes C24H50NO7P 495.3325 Glycerophospholipids Glycerophosphocholines LPC 1-palmitoyl-GPE (16:0) HMDB0011503 LPE(16:0) Yes C21H44NO7P 453.2855 Glycerophospholipids Glycerophosphoethanolamines LPE 1-palmitoyl-GPG (16:0)* LPG(16:0) Yes C22H45O9P 484.2801 Glycerophospholipids Glycerophosphoglycerols LPG 1-palmitoyl-GPI (16:0)* LPI(16:0) Yes C25H49O12P 572.2962 Glycerophospholipids Glycerophosphoinositols LPI 1-palmitoyl-GPS (16:0)* LPS(16:0) Yes C22H44NO9P 497.2754 Glycerophospholipids Glycerophosphoserines LPS 1-palmitoylglycerol (16:0) HMDB0031074 MG(16:0/0:0/0:0) Yes C19H38O4 330.277 Glycerolipids Monoradylglycerols MAG 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) C00157 HMDB0008048 PC(18:0_20:4) Yes C46H84NO8P 809.5935 Glycerophospholipids Glycerophosphocholines PC 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) C00350 HMDB0009003 PE(18:0_20:4) Yes C43H78NO8P 767.5465 Glycerophospholipids Glycerophosphoethanolamines PE 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) PI(18:0_20:4) Yes C47H83O13P 886.5571 Glycerophospholipids Glycerophosphoinositols PI 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) - No 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* PC(18:0_18:2) Yes C44H84NO8P 785.5935 Glycerophospholipids Glycerophosphocholines PC 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* C00350 HMDB0008994 PE(18:0_18:2) Yes C41H78NO8P 743.5465 Glycerophospholipids Glycerophosphoethanolamines PE 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) PI(18:0_18:2) Yes C45H83O13P 862.5571 Glycerophospholipids Glycerophosphoinositols PI 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) HMDB0012380 - No 1-stearoyl-2-oleoyl-GPC (18:0/18:1) PC(18:0_18:1) Yes C44H86NO8P 787.6091 Glycerophospholipids Glycerophosphocholines PC 1-stearoyl-2-oleoyl-GPE (18:0/18:1) PE(18:0_18:1) Yes C41H80NO8P 745.5622 Glycerophospholipids Glycerophosphoethanolamines PE 1-stearoyl-2-oleoyl-GPS (18:0/18:1) PS(18:0_18:1) Yes C42H80NO10P 789.552 Glycerophospholipids Glycerophosphoserines PS 1-stearoyl-GPC (18:0) C04230 HMDB0010384 LPC(18:0) Yes C26H54NO7P 523.3638 Glycerophospholipids Glycerophosphocholines LPC 1-stearoyl-GPE (18:0) HMDB0011130 LPE(18:0) Yes C23H48NO7P 481.3168 Glycerophospholipids Glycerophosphoethanolamines LPE 1-stearoyl-GPG (18:0) LPG(18:0) Yes C18H34O 266.261 Glycerophospholipids Glycerophosphoglycerols LPG 1-stearoyl-GPI (18:0) LPI(18:0) Yes C27H53O12P 600.3275 Glycerophospholipids Glycerophosphoinositols LPI 1-stearoyl-GPS (18:0)* LPS(18:0) Yes C24H48NO9P 525.3067 Glycerophospholipids Glycerophosphoserines LPS 1,2-dilinoleoyl-GPC (18:2/18:2) C00157 HMDB0008138 - No 1,2-dioleoyl-GPC (18:1/18:1)* - No 1,2-dioleoyl-GPE (18:1/18:1) C00350 HMDB0009059 - No 1,2-dioleoyl-GPG (18:1/18:1) - No 1,2-dipalmitoyl-GPC (16:0/16:0) C00157 HMDB0000564 - No 1,5-anhydroglucitol (1,5-AG) C07326 HMDB0002712 1,5-Anhydrosorbitol Yes C6H12O5 164.0685 Carbohydrates Monosaccharides Monosaccharides 10-heptadecenoate (17:1n7) 10Z-Heptadecenoic acid Yes C17H32O2 268.2402 Fatty Acyls Fatty acids Unsaturated FA 10-nodecenoate (19:1n9) C00174 HMDB0013622 Nodeca-10Z-enoic acid Yes C19H36O2 296.2715 Fatty Acyls Fatty acids Unsaturated FA 12-hydroxyoleate C08365 HMDB0034297 - No 12,13-DiHOME C14829 HMDB0004705 12,13-DiHOME Yes C18H34O4 314.2457 Fatty Acyls Octadecanoids DiHOMEs 13-HODE + 9-HODE - No 15-methylpalmitate 15-Methyl palmitic acid Yes C17H34O2 270.2559 Fatty Acyls Fatty acids Branched FA 16-hydroxypalmitate Juniperic acid Yes C16H32O3 272.2351 Fatty Acyls Fatty acids Hydroxy FA 17-methylstearate Xi-17-Methyloctadecanoic acid Yes C19H38O2 298.2872 Fatty Acyls Fatty acids Branched FA 2-aminoadipate C00956 HMDB0000510 Aminoadipic acid Yes C6H11NO4 161.0688 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids 2-aminobutyrate C02261 HMDB0000650 2-Aminobutyric acid Yes C4H9NO2 103.0633 Fatty Acyls Fatty acids Amino FA 2-aminoheptanoate 2-Amino-heptanoic acid Yes C7H15NO2 145.1103 Fatty Acyls Fatty acids Amino FA 2-arachidonoylglycerol (20:4) C13856 HMDB0004666 MG(20:4) Yes C23H38O4 378.277 Glycerolipids Monoradylglycerols MAG 2-hydroxyadipate C02360 HMDB0000321 2-Hydroxyadipic acid Yes C6H10O5 162.0528 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids 2-hydroxybutyrate/2-hydroxyisobutyrate - No 2-hydroxyglutarate 2-Hydroxyglutaric acid Yes C5H8O5 148.0372 Fatty Acyls Fatty acids Hydroxy FA 2-hydroxyhippurate (salicylurate) C07588 HMDB0000840 Salicyluric acid Yes C9H9NO4 195.0532 Benzenoids Benzamides Hippuric acids 2-hydroxypalmitate HMDB0031057 2-Hydroxy palmitic acid Yes C16H32O3 272.2351 Fatty Acyls Fatty acids Hydroxy FA 2-hydroxystearate 2-Hydroxystearic acid Yes C18H36O3 300.2664 Fatty Acyls Fatty acids Hydroxy FA 2-linoleoylglycerol (18:2) HMDB0011538 MG(18:2(9Z,12Z)) Yes C21H38O4 354.277 Glycerolipids Monoradylglycerols MAG 2-methylbutyrylcarnitine (C5) HMDB0000378 CAR(4:0(2Me)) Yes C12H23NO4 245.1627 Fatty Acyls Fatty esters Short-chain acyl carnitines 2-methylbutyrylglycine HMDB0000339 2-Methylbutyrylglycine Yes C7H13NO3 159.0895 Organic acids Amino acids and peptides Amino acids 2-methylcitrate/homocitrate - No 2-methylmalonyl carnitine HMDB0013133 CAR(DC3:0(2Me)) Yes C11H19NO6 261.1212 Fatty Acyls Fatty esters Short-chain acyl carnitines 2-myristoylglycerol (14:0) HMDB0011530 MG(14:0) Yes C17H34O4 302.2457 Glycerolipids Monoradylglycerols MAG 2-oleoylglycerol (18:1) HMDB0011537 MG(18:1) Yes C21H40O4 356.2927 Glycerolipids Monoradylglycerols MAG 2-palmitoleoyl-GPC (16:1)* LPC(16:1) Yes C24H48NO7P 493.3168 Glycerophospholipids Glycerophosphocholines LPC 2-palmitoleoylglycerol (16:1)* MG(16:1) Yes C19H36O4 328.2614 Glycerolipids Monoradylglycerols MAG 2-palmitoyl-GPC (16:0)* LPC(16:0) Yes C24H50NO7P 495.3325 Glycerophospholipids Glycerophosphocholines LPC 2-palmitoylglycerol (16:0) HMDB0011533 MG(0:0/16:0/0:0) Yes C19H38O4 330.277 Glycerolipids Monoradylglycerols MAG 2-phenylglycine HMDB0002210 2-Phenylglycine Yes C8H9NO2 151.0633 Organic acids Amino acids and peptides Amino acids 2-phosphoglycerate HMDB0000362 2-Phosphoglyceric acid Yes C3H7O7P 185.9929 Organic acids Short-chain acids and derivatives Short-chain acids and derivatives 2-piperidinone HMDB0011749 2-Piperidinone Yes C5H9NO 99.0684 Organoheterocyclic compounds Piperidinones Piperidinones 2-stearoyl-GPE (18:0)* LPE(18:0) Yes C23H48NO7P 481.3168 Glycerophospholipids Glycerophosphoethanolamines LPE 2'-deoxyadenosine 3'-monophosphate - No 2'-deoxyadenosine 5'-monophosphate C00360 HMDB0000905 dAMP Yes C10H14N5O6P 331.0682 Nucleic acids Purines Purine deoxyribonucleoside monophosphates 2'-deoxyguanosine C00330 HMDB0000085 Deoxyguanosine Yes C10H13N5O4 267.0968 Nucleic acids Purines Purine deoxyribonucleosides 2'-deoxyinosine C05512 HMDB0000071 Deoxyinosine Yes C10H12N4O4 252.0859 Nucleic acids Purines Purine 2'-deoxyribonucleosides 2'-deoxyuridine C00526 HMDB0000012 Deoxyuridine Yes C9H12N2O5 228.0746 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides 21-hydroxypregnenolone disulfate C05485 HMDB0004026 21-Hydroxypregnenolone Yes C21H32O3 332.2351 Sterol Lipids Steroids C21 steroids 3-(4-hydroxyphenyl)lactate C03672 HMDB0000755 Hydroxyphenyllactic acid Yes C9H10O4 182.0579 Polyketides Phenylpropanoids Phenylpropanoic acids 3-(cystein-S-yl)acetaminophen* 3-(Cystein-S-yl)acetaminophen Yes C11H14N2O4S 270.0674 Organic acids Amino acids and peptides Amino acids 3-(N-acetyl-L-cystein-S-yl) acetaminophen 3-(N-Acetyl-L-cystein-S-yl) acetaminophen Yes C13H16N2O5S 312.078 Organic acids Amino acids and peptides Amino acids 3-aminoisobutyrate C05145 HMDB0003911 3-Amino-isobutanoic acid Yes C4H9NO2 103.0633 Fatty Acyls Fatty acids Amino FA 3-hydroxy-3-methylglutarate C03761 HMDB0000355 3-Hydroxymethylglutaric acid Yes C6H10O5 162.0528 Fatty Acyls Fatty acids Hydroxy FA 3-hydroxybutyrate (BHBA) C01089 HMDB0000011 3-Hydroxybutyric acid Yes C4H8O3 104.0473 Organic acids Hydroxy acids Beta hydroxy acids 3-hydroxybutyrylcarnitine (1) HMDB0013127 CAR(4:0(OH)) Yes C11H21NO5 247.142 Fatty Acyls Fatty esters Short-chain acyl carnitines 3-hydroxybutyrylcarnitine (2) CAR(4:0(OH)) Yes C11H21NO5 247.142 Fatty Acyls Fatty esters Short-chain acyl carnitines 3-hydroxyisobutyrate C06001 HMDB0000023 3-Hydroxyisobutyric acid Yes C4H8O3 104.0473 Fatty Acyls Fatty acids Hydroxy FA 3-hydroxylaurate HMDB0000387 3-Hydroxydodecanoic acid Yes C12H24O3 216.1725 Fatty Acyls Fatty acids Hydroxy FA 3-hydroxyoctanoate HMDB0001954 3-Hydroxyoctanoic acid Yes C8H16O3 160.1099 Fatty Acyls Fatty acids Hydroxy FA 3-methoxytyramine sulfate - No 3-methoxytyrosine HMDB0001434 3-Methoxytyrosine Yes C10H13NO4 211.0845 Polyketides Phenylpropanoids Phenylpropanoic acids 3-methyl-2-oxobutyrate C00141 HMDB0000019 Ketoisovaleric acid Yes C5H8O3 116.0473 Fatty Acyls Fatty acids Branched FA 3-methyl-2-oxovalerate C00671 MA3TEM005 3-Methyl-2-oxovaleric acid Yes C6H10O3 130.063 Organic acids Keto acids Short-chain keto acids 3-methyladipoylcarnitine - No 3-methylglutarylcarnitine (2) HMDB0000552 CAR(DC5:0(3Me)) Yes C13H23NO6 289.1525 Fatty Acyls Fatty esters Short-chain acyl carnitines 3-methylhistidine C01152 HMDB0000001 3-Methylhistidine Yes C7H11N3O2 169.0851 Organic acids Amino acids and peptides Amino acids 3-phosphoglycerate C00597 HMDB0000807 3-Phosphoglyceric acid Yes C3H7O7P 185.9929 Organic acids Short-chain acids and derivatives Short-chain acids and derivatives 3-ureidopropiote C02642 HMDB0000026 Ureidopropionic acid Yes C4H8N2O3 132.0535 Organic acids Carboximidic acids Isoureas 3'-dephosphocoenzyme A C00882 HMDB0001373 3'-Dephospho-CoA Yes C21H35N7O13P2S 687.1489 Fatty Acyls Fatty esters Acyl CoAs 4-acetamidobutanoate C02946 HMDB0003681 4-Acetamidobutanoic acid Yes C6H11NO3 145.0739 Organic acids Amino acids and peptides Amino acids 4-acetamidophenol HMDB0001859 Acetaminophen Yes C8H9NO2 151.0633 Benzenoids Phenols Aminophenols 4-acetaminophen sulfate Paracetamol sulfate Yes C8H9NO5S 231.0201 Organic acids Arylsulfates Phenylsulfates 4-androsten-3beta,17beta-diol disulfate (1) C04295 HMDB0003818 4-Androsten-3beta,17beta-diol disulfate Yes C19H30O8S2 450.1382 Sterol Lipids Steroids C19 steroids 4-androsten-3beta,17beta-diol disulfate (2) C04295 HMDB0003818 4-Androsten-3beta,17beta-diol disulfate Yes C19H30O8S2 450.1382 Sterol Lipids Steroids C19 steroids 4-androsten-3beta,17beta-diol monosulfate (1) - No 4-cholesten-3-one C00599 HMDB0000921 Cholestenone Yes C27H44O 384.3392 Sterol Lipids Sterols Cholesterols 4-guanidinobutanoate C01035 HMDB0003464 4-Guanidinobutanoic acid Yes C5H11N3O2 145.0851 Organic acids Amino acids and peptides Amino acids 4-hydroxybenzoate C00156 HMDB0000500 4-Hydroxybenzoic acid Yes C7H6O3 138.0317 Benzenoids Benzoic acids Hydroxybenzoic acids 4-hydroxybutyrate (GHB) C00989 HMDB0000710 4-Hydroxybutyric acid Yes C4H8O3 104.0473 Fatty Acyls Fatty acids Hydroxy FA 4-hydroxyglutamate C03079 HMDB0002273 - No 4-hydroxyhippurate HMDB0013678 4-Hydroxyhippuric acid Yes C9H9NO4 195.0532 Benzenoids Benzamides Hippuric acids 4-hydroxyphenylpyruvate C01179 HMDB0000707 4-Hydroxyphenylpyruvic acid Yes C9H8O4 180.0423 Benzenoids Benzenes Phenylpyruvic acid derivatives 4-imidazoleacetate C02835 HMDB0002024 Imidazoleacetic acid Yes C5H6N2O2 126.0429 Organoheterocyclic compounds Imidazoles Imidazolyl carboxylic acids 4-methyl-2-oxopentanoate C00233 HMDB0000695 Ketoleucine Yes C6H10O3 130.063 Organic acids Keto acids Short-chain keto acids 5-dodecenoate (12:1n7) HMDB0000529 5-Dodecenoic acid Yes C12H22O2 198.162 Fatty Acyls Fatty acids Unsaturated FA 5-HETE C04805 HMDB0011134 5-HETE Yes C20H32O3 320.2351 Fatty Acyls Eicosanoids HETE 5-hydroxylysine C16741 HMDB0000450 5-Hydroxylysine Yes C6H14N2O3 162.1004 Organic acids Amino acids and peptides Amino acids 5-KETE C14732 HMDB0010217 5-Oxo-ETE Yes C20H30O3 318.2195 Fatty Acyls Eicosanoids HETE 5-methylcytidine HMDB0000982 5-Methylcytidine Yes C10H15N3O5 257.1012 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 5-methylcytosine C02376 HMDB0002894 5-Methylcytosine Yes C5H7N3O 125.0589 Nucleic acids Pyrimidines Pyrimidones 5-methyltetrahydrofolate (5MeTHF) C00440 HMDB0001396 5-Methyltetrahydrofolic acid Yes C20H25N7O6 459.1866 Organoheterocyclic compounds Pterins Pterins 5-methylthioadenosine (MTA) C00170 HMDB0001173 5'-Methylthioadenosine Yes C11H15N5O3S 297.0896 Nucleic acids Purines Purine ribonucleosides 5-methyluridine (ribothymidine) HMDB0000884 Ribothymidine Yes C10H14N2O6 258.0852 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 5-oxoproline C01879 HMDB0000267 Pyroglutamic acid Yes C5H7NO3 129.0426 Organoheterocyclic compounds Pyrroline carboxylic acids Pyrroline carboxylic acids 5,6-DiHETrE C14772 HMDB0002343 5,6-DiHETrE Yes C20H34O4 338.2457 Fatty Acyls Eicosanoids HETrE 5alpha-pregn-3beta,20alpha-diol disulfate 5alpha-Pregn-3beta,20alpha-diol disulfate Yes C21H36O8S2 480.1852 Sterol Lipids Steroids C21 steroids 6-oxopiperidine-2-carboxylic acid - No 6-phosphoglucote C00345 HMDB0001316 6-Phosphogluconic acid Yes C6H13O10P 276.0246 Carbohydrates Monosaccharides Monosaccharide phosphates 7-hydroxycholesterol (alpha or beta) 7beta-Hydroxycholesterol Yes C27H46O2 402.3498 Sterol Lipids Sterols Oxysterols 7-methylguanine C02242 HMDB0000897 7-Methylguanine Yes C6H7N5O 165.0651 Nucleic acids Purines Hypoxanthines 8-hydroxyoctanoate - No 8,9-DiHETrE C14773 HMDB0002311 8,9-DiHETrE Yes C20H34O4 338.2457 Fatty Acyls Eicosanoids HETrE 9,10-DiHOME C14828 HMDB0004704 9,10-DiHOME Yes C18H34O4 314.2457 Fatty Acyls Octadecanoids DiHOMEs acetylcarnitine C02571 HMDB0000201 CAR(2:0) Yes C9H17NO4 203.1158 Fatty Acyls Fatty esters Short-chain acyl carnitines acetylphosphate C00227 HMDB0001494 Acetylphosphate Yes C2H5O5P 139.9875 Organic acids Organic phosphoric acids Phosphate esters aconitate [cis or trans] C00417 HMDB0000072 cis-Aconitic acid Yes C6H6O6 174.0164 Organic acids TCA acids TCA acids adenine C00147 HMDB0000034 Adenine Yes C5H5N5 135.0545 Nucleic acids Purines 6-aminopurines adenosine C00212 HMDB0000050 Adenosine Yes C10H13N5O4 267.0968 Nucleic acids Purines Purine ribonucleosides adenosine 2'-monophosphate (2'-AMP) C00946 HMDB0011617 Adenosine 2'-phosphate Yes C10H14N5O7P 347.0631 Nucleic acids Purines Purine ribonucleoside monophosphates adenosine 3'-monophosphate (3'-AMP) C01367 HMDB0003540 3'-AMP Yes C10H14N5O7P 347.0631 Nucleic acids Purines Purine ribonucleoside monophosphates adenosine 3',5'-cyclic monophosphate (cAMP) C00575 HMDB0000058 3',5' cyclic AMP Yes C10H12N5O6P 329.0525 Nucleic acids Purines Purine ribonucleoside monophosphates adenosine 3',5'-diphosphate C00054 HMDB0000061 Adenosine 3',5'-diphosphate Yes C10H15N5O10P2 427.0294 Nucleic acids Purines Purine ribonucleoside diphosphates adenosine 5'-diphosphate (ADP) C00008 HMDB0001341 ADP Yes C10H15N5O10P2 427.0294 Nucleic acids Purines Purine ribonucleoside diphosphates adenosine 5'-diphosphoribose (ADP-ribose) C00301 HMDB0001178 - No adenosine 5'-monophosphate (AMP) C00020 HMDB0000045 AMP Yes C10H14N5O7P 347.0631 Nucleic acids Purines Purine ribonucleoside monophosphates adenylosuccite C03794 HMDB0000536 Adenylsuccinic acid Yes C14H18N5O11P 463.074 Nucleic acids Purines Purine ribonucleoside monophosphates adipate C06104 HMDB0000448 Adipic acid Yes C6H10O4 146.0579 Fatty Acyls Fatty acids Dicarboxylic acids adipoylcarnitine CAR(DC5:0) Yes C12H21NO6 275.1369 Fatty Acyls Fatty esters Short-chain acyl carnitines adrete (22:4n6) C16527 HMDB0002226 Adrenic acid Yes C22H36O2 332.2715 Fatty Acyls Fatty acids Unsaturated FA alanine C00041 HMDB0000161 Alanine Yes C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids alanylleucine Ala-Leu Yes C9H18N2O3 202.1317 Organic acids Amino acids and peptides Dipeptides allantoin C01551 HMDB0000462 Allantoin Yes C4H6N4O3 158.044 Organoheterocyclic compounds Ureas Ureides alpha-hydroxyisovalerate HMDB0000407 2-Hydroxy-3-methylbutyric acid Yes C5H10O3 118.063 Fatty Acyls Fatty acids Hydroxy FA alpha-hydroxyisovaleroyl carnitine* CAR(5:0(OH)) Yes C12H23NO5 261.1576 Fatty Acyls Fatty esters Short-chain acyl carnitines alpha-ketoglutarate C00026 HMDB0000208 Oxoglutaric acid Yes C5H6O5 146.0215 Organic acids TCA acids TCA acids alpha-tocopherol C02477 HMDB0001893 alpha-Tocopherol Yes C29H50O2 430.3811 Prenol Lipids Quinones and hydroquinones Vitamin E andro steroid monosulfate (1)* C04555 HMDB0001032 5alpha-Androstane-3alpha-ol-17-one sulfate Yes C19H30O5S 370.1814 Sterol Lipids Steroid conjugates Steroid sulfates anserine C01262 HMDB0000194 Anserine Yes C10H16N4O3 240.1222 Organic acids Amino acids and peptides Hybrid peptides anthranilate C00108 HMDB0001123 2-Aminobenzoic acid Yes C7H7NO2 137.0477 Benzenoids Benzoic acids Aminobenzoic acids arabitol/xylitol Arabitol Yes C5H12O5 152.0685 Carbohydrates Monosaccharides Sugar alcohols arabote/xylote - No arachidate (20:0) C06425 HMDB0002212 Arachidic acid Yes C20H40O2 312.3028 Fatty Acyls Fatty acids Saturated FA arachidote (20:4n6) C00219 HMDB0001043 Arachidonic acid Yes C20H32O2 304.2402 Fatty Acyls Fatty acids Unsaturated FA arachidonoyl ethanolamide C11695 HMDB0004080 Arachidonoyl-EA Yes C22H37NO2 347.2824 Fatty Acyls Fatty amides N-acyl ethanolamines arginine C00062 HMDB0000517 Arginine Yes C6H14N4O2 174.1117 Organic acids Amino acids and peptides Amino acids argininosuccite C03406 HMDB0000052 Argininosuccinic acid Yes C10H18N4O6 290.1226 Organic acids Amino acids and peptides Amino acids ascorbate (Vitamin C) C00072 HMDB0000044 Vitamin C Yes C6H8O6 176.0321 Organoheterocyclic compounds Furanones Butenolides asparagine C00152 HMDB0000168 Asparagine Yes C4H8N2O3 132.0535 Organic acids Amino acids and peptides Amino acids aspartate C00049 HMDB0000191 Aspartic acid Yes C4H7NO4 133.0375 Organic acids Amino acids and peptides Amino acids azelate (nonedioate) C08261 HMDB0000784 Azelaic acid Yes C9H16O4 188.1049 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids azeloylcarnitine - No behenoyl sphingomyelin (d18:1/22:0)* SM(d18:1/22:0) Yes C45H91N2O6P 786.6615 Sphingolipids Sphingomyelins SM benzoylcarnitine* - No benzyl alcohol glucuronide - No beta-alanine C00099 HMDB0000056 beta-Alanine Yes C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids beta-guanidinopropanoate C03065 HMDB0013222 3-Guanidinopropanoic acid Yes C4H9N3O2 131.0695 Organic nitrogen compounds Guanidines Guanidines beta-hydroxyisovalerate HMDB0000754 3-Hydroxyisovaleric acid Yes C5H10O3 118.063 Fatty Acyls Fatty acids Hydroxy FA beta-hydroxyisovaleroylcarnitine CAR(4:0(OH)(Me)) Yes C12H23NO5 261.1576 Fatty Acyls Fatty esters Short-chain acyl carnitines betaine C00719 HMDB0000043 Betaine Yes C5H11NO2 117.079 Organic acids Amino acids and peptides Amino acids betaine aldehyde C00576 HMDB0001252 Betaine Yes C5H11NO2 117.079 Organic acids Amino acids and peptides Amino acids bilirubin (Z,Z) C00486 HMDB0000054 Bilirubin Yes C33H36N4O6 584.2635 Organoheterocyclic compounds Tetrapyrroles Tetrapyrroles biliverdin C00500 HMDB0001008 Biliverdin Yes C33H34N4O6 582.2478 Organoheterocyclic compounds Bilirubins Bilirubins biopterin C06313 HMDB0000468 Biopterin Yes C9H11N5O3 237.0862 Organoheterocyclic compounds Pterins Biopterins butyrylcarnitine C02862 HMDB0002013 CAR(4:0) Yes C11H21NO4 231.1471 Fatty Acyls Fatty esters Short-chain acyl carnitines butyrylglycine HMDB0000808 N-Butyrylglycine Yes C6H11NO3 145.0739 Organic acids Amino acids and peptides Amino acids C-glycosyltryptophan C-Glycosyltryptophan Yes C17H22N2O7 366.1427 Organic acids Amino acids and peptides Amino acids cadaverine C01672 HMDB0002322 Cadaverine Yes C5H14N2 102.1157 Fatty Acyls Fatty amines Monoalkylamines caffeine C07481 HMDB0001847 Caffeine Yes C8H10N4O2 194.0804 Nucleic acids Purines Xanthines caprate (10:0) C01571 HMDB0000511 Capric acid Yes C10H20O2 172.1463 Fatty Acyls Fatty acids Saturated FA carboxyethyl-GABA HMDB0002201 - No carnitine C00318 HMDB0000062 Carnitine Yes C7H15NO3 161.1052 Organic nitrogen compounds Carnitines Carnitines carnosine C00386 HMDB0000033 Carnosine Yes C9H14N4O3 226.1066 Organic acids Amino acids and peptides Hybrid peptides catechol sulfate C00090 HMDB0000957 Catechol sulfate Yes C6H6O5S 189.9936 Organic acids Arylsulfates Phenylsulfates chenodeoxycholate C02528 HMDB0000518 Chenodeoxycholic acid Yes C24H40O4 392.2927 Sterol Lipids Bile acids C24 bile acids cholate C00695 HMDB0000619 Cholic acid Yes C24H40O5 408.2876 Sterol Lipids Bile acids C24 bile acids cholesterol C00187 HMDB0000067 Cholesterol Yes C27H46O 386.3549 Sterol Lipids Sterols Cholesterols choline C00114 HMDB0000097 Choline Yes C5H14NO 104.1075 Organic nitrogen compounds Cholines Cholines choline phosphate C00588 HMDB0001565 Choline phosphate Yes C5H14NO4P 183.066 Organic nitrogen compounds Cholines Cholines cis-urocate HMDB0034174 Urocanic acid Yes C6H6N2O2 138.0429 Organoheterocyclic compounds Imidazoles Imidazolyl carboxylic acids citrate C00158 HMDB0000094 Citric acid Yes C6H8O7 192.027 Organic acids TCA acids TCA acids citrulline C00327 HMDB0000904 Citrulline Yes C6H13N3O3 175.0957 Organic acids Amino acids and peptides Amino acids creatine C00300 HMDB0000064 Creatine Yes C4H9N3O2 131.0695 Organic acids Amino acids and peptides Amino acids creatinine C00791 HMDB0000562 Creatinine Yes C4H7N3O 113.0589 Organoheterocyclic compounds Azolines Imidazolines cystathionine C02291 HMDB0000099 Cystathionine Yes C7H14N2O4S 222.0674 Organic acids Amino acids and peptides Amino acids cysteamine C01678 HMDB0002991 Cysteamine Yes C2H7NS 77.0299 Organosulfur compounds Thiols Alkylthiols cysteine C00097 HMDB0000574 Cysteine Yes C3H7NO2S 121.0198 Organic acids Amino acids and peptides Amino acids cysteine s-sulfate C05824 HMDB0000731 Cysteine-S-sulfate Yes C3H7NO5S2 200.9766 Organic acids Amino acids and peptides Amino acids cysteine sulfinic acid C00606 HMDB0000996 3-Sulfino-alanine Yes C3H7NO4S 153.0096 Organic acids Amino acids and peptides Amino acids cysteine-glutathione disulfide Cysteine-glutathione disulfide Yes C13H22N4O8S2 426.0879 Organic acids Amino acids and peptides Peptides cysteinylglycine C01419 HMDB0000078 Cys-Gly Yes C5H10N2O3S 178.0412 Organic acids Amino acids and peptides Dipeptides cystine C00491 HMDB0000192 Cystine Yes C6H12N2O4S2 240.0238 Organic acids Amino acids and peptides Amino acids cytidine C00475 HMDB0000089 Cytidine Yes C9H13N3O5 243.0855 Nucleic acids Pyrimidines Pyrimidine ribonucleosides cytidine 3'-monophosphate (3'-CMP) 3'-CMP Yes C9H14N3O8P 323.0519 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleoside monophosphates cytidine 5'-diphosphocholine C00307 HMDB0001413 Cytidine 5'-diphosphocholine Yes C14H26N4O11P2 488.1073 Nucleic acids Pyrimidines Pyrimidine ribonucleoside diphosphates cytidine 5'-monophosphate (5'-CMP) C00055 HMDB0000095 CMP Yes C9H14N3O8P 323.0519 Nucleic acids Pyrimidines Pyrimidine ribonucleoside monophosphates cytidine-5'-diphosphoethanolamine C00570 HMDB0001564 CDP-Ethanolamine Yes C11H20N4O11P2 446.0604 Nucleic acids Pyrimidines Pyrimidine ribonucleoside diphosphates cytosine C00380 HMDB0000630 Cytosine Yes C4H5N3O 111.0433 Nucleic acids Pyrimidines Pyrimidones decanoylcarnitine HMDB0000651 CAR(10:0) Yes C17H33NO4 315.241 Fatty Acyls Fatty esters Short-chain acyl carnitines dehydroascorbate Dehydroascorbic acid Yes C6H6O6 174.0164 Organoheterocyclic compounds Lactones Gamma butyrolactones dehydroisoandrosterone sulfate (DHEA-S) C04555 HMDB0001032 Dehydroepiandrosterone sulfate Yes C19H28O5S 368.1657 Sterol Lipids Steroid conjugates Steroid sulfates deoxycarnitine C01181 HMDB0001161 3-Dehydroxycarnitine Yes C7H15NO2 145.1103 Fatty Acyls Fatty esters Short-chain acyl carnitines diglycerol Diglycerol Yes C6H14O5 166.084 Glycerolipids Monoradylglycerols O-MAG dihomo-linoleate (20:2n6) C16525 HMDB0005060 Eicosadienoic acid Yes C20H36O2 308.2715 Fatty Acyls Fatty acids Unsaturated FA dihomo-linolete (20:3n3 or n6) C03242 HMDB0002925 - No dihydrobiopterin C00268 HMDB0002215 4a-Carbinolamine tetrahydrobiopterin Yes C9H13N5O3 239.1018 Organoheterocyclic compounds Pterins Biopterins dihydroxyacetone phosphate (DHAP) C00111 HMDB0001473 Dihydroxyacetone phosphate Yes C3H7O6P 169.998 Organic acids Short-chain acids and derivatives Short-chain acids and derivatives dimethylarginine (SDMA + ADMA) C03626 HMDB0001539 Dimethylarginine Yes C8H18N4O2 202.143 Organic acids Amino acids and peptides Amino acids dimethylglycine C01026 HMDB0000092 Dimethylglycine Yes C4H9NO2 103.0633 Organic acids Amino acids and peptides Amino acids docosadienoate (22:2n6) 13Z,16Z-Docosadienoic acid Yes C22H40O2 336.3028 Fatty Acyls Fatty acids Unsaturated FA docosahexaenoate (DHA; 22:6n3) C06429 HMDB0002183 DHA Yes C22H32O2 328.2402 Fatty Acyls Fatty acids Unsaturated FA docosapentaenoate (n3 DPA; 22:5n3) C16513 HMDB0006528 DPA Yes C22H34O2 330.2559 Fatty Acyls Fatty acids Unsaturated FA docosapentaenoate (n6 DPA; 22:5n6) C16513 HMDB0006528 Docosapentaenoic acid (22n-6) Yes C22H34O2 330.2559 Fatty Acyls Fatty acids Unsaturated FA docosatrienoate (22:3n3) Docosatrienoic acid Yes C22H38O2 334.2872 Fatty Acyls Fatty acids Unsaturated FA dodecanedioate C02678 HMDB0000623 Dodecanedioic acid Yes C12H22O4 230.1518 Fatty Acyls Fatty acids Dicarboxylic acids dopamine sulfate (2) - No eicosapentaenoate (EPA; 20:5n3) C06428 HMDB0001999 EPA Yes C20H30O2 302.2246 Fatty Acyls Fatty acids Unsaturated FA eicosenoate (20:1) C16526 HMDB0002231 cs-Gondoic acid Yes C20H38O2 310.2872 Fatty Acyls Fatty acids Unsaturated FA ergothioneine C05570 HMDB0003045 Ergothioneine Yes C9H15N3O2S 229.0885 Organic acids Amino acids and peptides Amino acids erucate (22:1n9) C08316 HMDB0002068 cis-Erucic acid Yes C22H42O2 338.3185 Fatty Acyls Fatty acids Unsaturated FA erythrote* HMDB0000613 Erythronic acid Yes C4H8O5 136.0372 Carbohydrates Monosaccharides Sugar acids ethanolamine C00189 HMDB0000149 Ethanolamine Yes C2H7NO 61.0528 Organic nitrogen compounds Alkanolamines 1,2-aminoalcohols ethylmalote HMDB0000622 Ethylmalonic acid Yes C5H8O4 132.0423 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids flavin adenine dinucleotide (FAD) C00016 HMDB0001248 FAD Yes C27H33N9O15P2 785.1571 Nucleic acids Flavins Flavin nucleotides flavin mononucleotide (FMN) C00061 HMDB0001520 FMN Yes C17H21N4O9P 456.1046 Nucleic acids Flavins Flavin nucleotides formiminoglutamate C00439 HMDB0000854 Formiminoglutamic acid Yes C6H10N2O4 174.0641 Organic acids Amino acids and peptides Amino acids fructose Fructose Yes C6H12O6 180.0634 Carbohydrates Monosaccharides Monosaccharides fructose-6-phosphate C00085 HMDB0000124 Fructose 6-phosphate Yes C6H13O9P 260.0297 Carbohydrates Monosaccharides Monosaccharide phosphates fumarate C00122 HMDB0000134 Fumaric acid Yes C4H4O4 116.011 Organic acids TCA acids TCA acids furosemide C07017 HMDB0001933 Furosemide Yes C12H11ClN2O5S 330.0077 Benzenoids Benzenes Benzenesulfonyl compounds galactote C00880 HMDB0000565 Galactonic acid Yes C6H12O7 196.0583 Carbohydrates Monosaccharides Sugar acids galactose 1-phosphate C00446 HMDB0000645 Galactose 1-phosphate Yes C6H13O9P 260.0297 Carbohydrates Monosaccharides Monosaccharide phosphates gamma-aminobutyrate (GABA) C00334 HMDB0000112 gamma-Aminobutyric acid Yes C4H9NO2 103.0633 Fatty Acyls Fatty acids Amino FA gamma-carboxyglutamate - No gamma-glutamyl-2-aminobutyrate gamma-Glutamyl-2-aminobutyrate Yes C9H16N2O5 232.1059 Organic acids Amino acids, peptides, and alogues Dipeptides gamma-glutamyl-epsilon-lysine - No gamma-glutamylalanine C03740 HMDB0006248 Gamma-Glutamylalanine Yes C8H14N2O5 218.0903 Organic acids Amino acids and peptides Dipeptides gamma-glutamylcysteine C00669 HMDB0001049 gamma-Glutamylcysteine Yes C8H14N2O5S 250.0623 Organic acids Amino acids and peptides Dipeptides gamma-glutamylglutamate C05282 HMDB11737 gamma-Glutamylglutamic acid Yes C10H16N2O7 276.0958 Organic acids Amino acids and peptides Dipeptides gamma-glutamylglutamine C05283 HMDB0011738 gamma-Glutamylglutamine Yes C10H17N3O6 275.1117 Organic acids Amino acids and peptides Dipeptides gamma-glutamylglycine HMDB0011667 - No gamma-glutamylhistidine HMDB0029151 gamma-Glutamylhistidine Yes C11H16N4O5 284.1121 Organic acids Amino acids and peptides Peptides gamma-glutamylisoleucine* HMDB11170 gamma-Glutamylisoleucine Yes C11H20N2O5 260.1372 Organic acids Amino acids and peptides Dipeptides gamma-glutamylleucine HMDB11171 gamma-Glutamylleucine Yes C11H20N2O5 260.1372 Organic acids Amino acids and peptides Dipeptides gamma-glutamylmethionine HMDB0034367 gamma-Glutamylmethionine Yes C10H18N2O5S 278.0936 Organic acids Amino acids and peptides Peptides gamma-glutamylphenylalanine HMDB0000594 gamma-Glutamylphenylalanine Yes C14H18N2O5 294.1216 Organic acids Amino acids and peptides Dipeptides gamma-glutamylthreonine* - No gamma-glutamyltyrosine HMDB0011741 gamma-Glutamyltyrosine Yes C14H18N2O6 310.1165 Organic acids Amino acids and peptides Dipeptides gamma-glutamylvaline HMDB0011172 gamma-Glutamylvaline Yes C10H18N2O5 246.1216 Organic acids Amino acids and peptides Dipeptides gamma-tocopherol/beta-tocopherol beta-tocopherol Yes C28H48O2 416.3654 Prenol Lipids Quinones and hydroquinones Vitamin E glucarate (saccharate) C00818 HMDB0029881 Glucaric acid Yes C6H10O8 210.0376 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids glucote C00257 HMDB0000625 Gluconic acid Yes C6H12O7 196.0583 Carbohydrates Monosaccharides Sugar acids glucosamine-6-phosphate C00352 HMDB0001254 Glucosamine 6-phosphate Yes C6H14NO8P 259.0457 Carbohydrates Monosaccharides Monosaccharide phosphates glucose C00031 HMDB0000122 Glucose Yes C6H12O6 180.0634 Carbohydrates Monosaccharides Monosaccharides glucose 6-phosphate C00092 HMDB0001401 Glucose 6-phosphate Yes C6H13O9P 260.0297 Carbohydrates Monosaccharides Monosaccharide phosphates glucurote C00191 HMDB0000127 Glucuronic acid Yes C6H10O7 194.0427 Carbohydrates Monosaccharides Sugar acids glucurote 1-phosphate* - No glutamate C00025 HMDB0000148 Glutamic acid Yes C5H9NO4 147.0532 Organic acids Amino acids and peptides Amino acids glutamate, gamma-methyl ester - No glutamine C00064 HMDB0000641 Glutamine Yes C5H10N2O3 146.0691 Organic acids Amino acids and peptides Amino acids glutarate (pentanedioate) C00489 HMDB0000661 Glutaric acid Yes C5H8O4 132.0423 Fatty Acyls Fatty acids Dicarboxylic acids glutarylcarnitine (C5) CAR(5:0) Yes C12H23NO4 245.1627 Fatty Acyls Fatty esters Short-chain acyl carnitines glutathione, oxidized (GSSG) C00127 HMDB0003337 Oxidized glutathione Yes C20H32N6O12S2 612.152 Organic acids Amino acids and peptides Peptides glutathione, reduced (GSH) C00051 HMDB0000125 Glutathione Yes C10H17N3O6S 307.0838 Organic acids Amino acids and peptides Peptides glycerate C00258 HMDB0000139 Glyceric acid Yes C3H6O4 106.0266 Carbohydrates Monosaccharides Sugar acids glycerol C00116 HMDB0000131 Glycerol Yes C3H8O3 92.0473 Carbohydrates Monosaccharides Sugar alcohols glycerol 3-phosphate C00093 HMDB0000126 sn-Glycero-3-phosphate Yes C3H9O6P 172.0137 Organic acids Organic phosphoric acids Organic phosphoric acids glycerophosphoethanolamine C01233 HMDB0000114 sn-Glycero-3-phosphoethanolamine Yes C5H14NO6P 215.0559 Organic acids Organic phosphoric acids Organic phosphoric acids glycerophosphoglycerol sn-Glycero-3-phosphoglycerol Yes C6H15O8P 246.0505 Organic acids Organic phosphoric acids Organic phosphoric acids glycerophosphoinositol* sn-Glycero-3-phosphoinositol Yes C9H19O11P 334.0665 Organic oxygen compounds Alcohols and polyols Inositol phosphates glycerophosphorylcholine (GPC) C00670 HMDB0000086 sn-Glycero-3-phosphocholine Yes C8H20NO6P 257.1028 Organic acids Organic phosphoric acids Organic phosphoric acids glycine C00037 HMDB0000123 Glycine Yes C2H5NO2 75.032 Organic acids Amino acids and peptides Amino acids glycochenodeoxycholate C05466 HMDB0000637 Glycochenodeoxycholic acid Yes C26H43NO5 449.3141 Sterol Lipids Bile acids C24 bile acids glycochenodeoxycholate sulfate - No glycocholate C01921 HMDB0000138 Glycocholic acid Yes C26H43NO6 465.309 Sterol Lipids Bile acids C24 bile acids glycocholete sulfate* Glycocholete sulfate Yes C26H41NO9S 543.2502 Sterol Lipids Bile acids C24 bile acids glycodeoxycholate C05464 HMDB0000631 Glycodeoxycholic acid Yes C26H43NO5 449.3141 Sterol Lipids Bile acids C24 bile acids glycodeoxycholate sulfate Glycodeoxycholate sulfate Yes C26H43NO8S 529.2709 Sterol Lipids Bile acids C24 bile acids glycohyocholate Glycohyocholic acid Yes C26H43NO6 465.309 Sterol Lipids Bile acids C24 bile acids glycolithocholate sulfate* C11301 HMDB0002639 Sulfolithocholylglycine Yes C26H43NO7S 513.276 Sterol Lipids Bile acids C24 bile acids glycosyl-N-palmitoyl-sphingosine HexCer(d18:1/16:0) Yes C40H77NO8 699.5649 Sphingolipids Glycosphingolipids HexCer glycosyl-N-stearoyl-sphingosine HexCer(d18:1/18:0) Yes C42H81NO8 727.5962 Sphingolipids Glycosphingolipids HexCer glycoursodeoxycholate HMDB0000708 Glycoursodeoxycholic acid Yes C26H43NO5 449.3141 Sterol Lipids Bile acids C24 bile acids glycylisoleucine Gly-Ile Yes C8H16N2O3 188.1161 Organic acids Amino acids and peptides Dipeptides glycylleucine C02155 HMDB0000759 Gly-Leu Yes C8H16N2O3 188.1161 Organic acids Amino acids and peptides Dipeptides glycylvaline Gly-Val Yes C7H14N2O3 174.1004 Organic acids Amino acids and peptides Dipeptides guanidinoacetate C00581 HMDB0000128 Guanidoacetic acid Yes C3H7N3O2 117.0538 Organic acids Amino acids and peptides Amino acids guanidinosuccite C03139 HMDB0003157 Guanidinosuccinic acid Yes C5H9N3O4 175.0593 Organic acids Amino acids and peptides Amino acids guanine C00242 HMDB0000132 Guanine Yes C5H5N5O 151.0494 Nucleic acids Purines Hypoxanthines guanosine C00387 HMDB0000133 Guanosine Yes C10H13N5O5 283.0917 Nucleic acids Purines Purine ribonucleosides guanosine 2'-monophosphate (2'-GMP)* - No guanosine 3'-monophosphate (3'-GMP) Guanosine 3'-monophosphate Yes C10H14N5O8P 363.058 Nucleic acids Purines Purine ribonucleoside monophosphates gulonic acid* Gulonic acid Yes C6H12O7 196.0583 Carbohydrates Monosaccharides Sugar acids heme C00032 HMDB0003178 Heme Yes C34H32FeN4O4 616.1773 Organoheterocyclic compounds Metallotetrapyrroles Metalloporphyrins hexadecanedioate C19615 HMDB0000672 Hexadecanedioic acid Yes C16H30O4 286.2144 Fatty Acyls Fatty acids Dicarboxylic acids hexanoylcarnitine HMDB0000705 CAR(6:0) Yes C13H25NO4 259.1784 Fatty Acyls Fatty esters Short-chain acyl carnitines hippurate C01586 HMDB0000714 Hippuric acid Yes C9H9NO3 179.0582 Benzenoids Benzamides Hippuric acids histamine C00388 HMDB0000870 Histamine Yes C5H9N3 111.0796 Organic nitrogen compounds Amines Aralkylamines histidine C00135 HMDB0000177 Histidine Yes C6H9N3O2 155.0695 Organic acids Amino acids and peptides Amino acids histidylalanine His-Ala Yes C9H14N4O3 226.1066 Organic acids Amino acids and peptides Dipeptides homoarginine C01924 HMDB0000670 Homoarginine Yes C7H16N4O2 188.1273 Organic acids Amino acids and peptides Amino acids homocitrulline C02427 HMDB0000679 Homocitrulline Yes C7H15N3O3 189.1113 Organic acids Amino acids and peptides Amino acids homocysteine C00155 HMDB0000742 Homocysteine Yes C4H9NO2S 135.0354 Organic acids Amino acids and peptides Amino acids homovanillate (HVA) C05582 HMDB0000118 Homovanillic acid Yes C9H10O4 182.0579 Benzenoids Phenylacetic acids Phenylacetic acids homovanillate sulfate HMDB0011719 Homovanillic acid Yes C9H10O4 182.0579 Benzenoids Phenylacetic acids Phenylacetic acids hydantoin-5-propionic acid C05565 HMDB0001212 Hydantoin-5-propionic acid Yes C6H8N2O4 172.0484 Organoheterocyclic compounds Imidazolidines Hydantoins hypotaurine C00519 HMDB0000965 Hypotaurine Yes C2H7NO2S 109.0198 Organic acids Sulfinic acids Sulfinic acids hypoxanthine C00262 HMDB0000157 Hypoxanthine Yes C5H4N4O 136.0385 Nucleic acids Purines Hypoxanthines imidazole lactate C05568 METPA0616 Imidazolelactic acid Yes C6H8N2O3 156.0535 Organoheterocyclic compounds Imidazoles Imidazolyl carboxylic acids imidazole propiote HMDB0002271 Imidazole propiote Yes C6H7N2O2 139.0508 Organoheterocyclic compounds Imidazoles Imidazolyl carboxylic acids indole-3-carboxylic acid C19837 HMDB0003320 Indole-3-carboxylic acid Yes C9H7NO2 161.0477 Organoheterocyclic compounds Indolecarboxylic acids Indolecarboxylic acids indoleacetate C00954 HMDB0000197 Indoleacetic acid Yes C10H9NO2 175.0633 Organoheterocyclic compounds Indoles Indole-3-acetic acid derivatives indolelactate C02043 HMDB0000671 Indolelactic acid Yes C11H11NO3 205.0739 Organoheterocyclic compounds Indolyl carboxylic acids Indolyl carboxylic acids inosine C00294 HMDB0000195 Inosine Yes C10H12N4O5 268.0808 Nucleic acids Purines Purine ribonucleosides inosine 5'-monophosphate (IMP) C00130 HMDB0000175 IMP Yes C10H13N4O8P 348.0471 Nucleic acids Purines Purine ribonucleoside monophosphates inositol 1-phosphate (I1P) C04006 HMDB0000213 - No Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, myo-inositol 1,4 or 1,3-diphosphate - No isobutyrylcarnitine CAR(3:0(2Me)) Yes C11H21NO4 231.1471 Fatty Acyls Fatty esters Short-chain acyl carnitines isocitrate C00311 HMDB0000193 Isocitric acid Yes C6H8O7 192.027 Organic acids TCA acids TCA acids isoleucine C00407 HMDB0000172 Isoleucine Yes C6H13NO2 131.0946 Organic acids Amino acids and peptides Amino acids isoleucylglycine Ile-Gly Yes C8H16N2O3 188.1161 Organic acids Amino acids and peptides Dipeptides isovalerylcarnitine HMDB0000688 CAR(4:0(3Me)) Yes C12H23NO4 245.1627 Fatty Acyls Fatty esters Short-chain acyl carnitines kynurete C01717 HMDB0000715 Kynurenic acid Yes C10H7NO3 189.0426 Organoheterocyclic compounds Quinolines Quinoline carboxylic acids kynurenine C00328 HMDB0000684 Kynurenine Yes C10H12N2O3 208.0848 Organic oxygen compounds Butyrophenones Butyrophenones L-urobilin C05793 HMDB0004159 L-Urobilin Yes C33H46N4O6 594.3417 Organoheterocyclic compounds Bilirubins Bilirubins lactate C00186 HMDB0000190 Lactic acid Yes C3H6O3 90.0317 Organic acids Short-chain acids and derivatives Short-chain acids and derivatives lactobiote Lactobionic acid Yes C12H22O12 358.1111 Carbohydrates Monosaccharides Sugar acids lactose C00243 HMDB0000186 Lactose Yes C12H22O11 342.1162 Carbohydrates Disaccharides Disaccharides lactosyl-N-palmitoyl-sphingosine LacCer(d18:1/16:0) Yes C46H87NO13 861.6177 Sphingolipids Glycosphingolipids LacCer lanthionine Lanthionine Yes C6H12N2O4S 208.0518 Organic acids Amino acids and peptides Amino acids laurate (12:0) C02679 HMDB0000638 Lauric acid Yes C12H24O2 200.1776 Fatty Acyls Fatty acids Saturated FA laurylcarnitine CAR(12:0) Yes C19H37NO4 343.2723 Fatty Acyls Fatty esters Acyl carnitines leucine C00123 HMDB0000687 Leucine Yes C6H13NO2 131.0946 Organic acids Amino acids and peptides Amino acids leucylglutamine* Leu-Gln Yes C11H21N3O4 259.1532 Organic acids Amino acids and peptides Dipeptides leucylglycine Leu-Gly Yes C8H16N2O3 188.1161 Organic acids Amino acids and peptides Dipeptides lidocaine C07073 HMDB0014426 Lidocaine Yes C14H22N2O 234.1732 Organic acids Amino acids and peptides Amino acids linoleamide (18:2n6) Linoleamide Yes C18H33NO 279.2562 Fatty Acyls Fatty amides Primary amides linoleate (18:2n6) C01595 HMDB0000673 Linoleic acid Yes C18H32O2 280.2402 Fatty Acyls Fatty acids Unsaturated FA linolete [alpha or gamma; (18:3n3 or 6)] C06426 HMDB0003073 - No linoleoylcarnitine* HMDB0006469 CAR(18:2) Yes C25H45NO4 423.3349 Fatty Acyls Fatty esters Acyl carnitines lysine C00047 HMDB0000182 Lysine Yes C6H14N2O2 146.1055 Organic acids Amino acids and peptides Amino acids lysylleucine Lys-Leu Yes C12H25N3O3 259.1896 Organic acids Amino acids and peptides Dipeptides malate C00149 HMDB0000156 Malic acid Yes C4H6O5 134.0215 Organic acids TCA acids TCA acids maleate C01384 HMDB0000176 Maleic acid Yes C4H4O4 116.011 Fatty Acyls Fatty acids Dicarboxylic acids malote C00383 HMDB0000691 Malonic acid Yes C3H4O4 104.011 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids malonylcarnitine HMDB0002095 CAR(DC3:0) Yes C10H17NO6 247.1056 Fatty Acyls Fatty esters Short-chain acyl carnitines maltopentaose HMDB0012254 Maltopentaose Yes C30H52O26 828.2747 Organic oxygen compounds Organooxygen compounds Organooxygen compounds maltose C00208 HMDB0000163 Maltose Yes C12H22O11 342.1162 Carbohydrates Disaccharides Disaccharides maltotetraose C02052 HMDB0001296 Maltotetraose Yes C24H42O21 666.2219 Carbohydrates Oligosaccharides Oligosaccharides maltotriose C01835 HMDB0001262 Maltotriose Yes C18H32O16 504.169 Carbohydrates Oligosaccharides Oligosaccharides mannitol/sorbitol C00794 HMDB0000247 Sorbitol Yes C6H14O6 182.079 Carbohydrates Monosaccharides Sugar alcohols mannose C00159 HMDB0000169 Mannose Yes C6H12O6 180.0634 Carbohydrates Monosaccharides Monosaccharides margarate (17:0) HMDB0002259 Margaric acid Yes C17H34O2 270.2559 Fatty Acyls Fatty acids Saturated FA mead acid (20:3n9) HMDB0010378 ETrE(5Z, 8Z, 11Z) Yes C20H34O2 306.2559 Fatty Acyls Eicosanoids HETrE methionine C00073 HMDB0000696 Methionine Yes C5H11NO2S 149.0511 Organic acids Amino acids and peptides Amino acids methionine sulfone Methionine sulfone Yes C5H11NO4S 181.0409 Organic acids Amino acids and peptides Amino acids methionine sulfoxide C02989 METPA0344 Methionine sulfoxide Yes C5H11NO3S 165.046 Organic acids Amino acids and peptides Amino acids methyl glucopyranoside (alpha + beta) - No methylmalote (MMA) C02170 HMDB0000202 Methylmalonic acid Yes C4H6O4 118.0266 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids methylphosphate Methanolphosphate Yes CH5O4P 111.9925 Organic acids Phosphate esters Monoalkyl phosphates methylsuccite C08645 HMDB0001844 Methylsuccinic acid Yes C5H8O4 132.0423 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids myo-inositol C00137 HMDB0000211 Myo-inositol Yes C6H12O6 180.0634 Organic oxygen compounds Alcohols and polyols Inositols myo-inositol diphosphate (1,4 or 1,3) - No myristate (14:0) C06424 HMDB0000806 Myristic acid Yes C14H28O2 228.2089 Fatty Acyls Fatty acids Saturated FA myristoleate (14:1n5) C08322 HMDB0002000 Myristoleic acid Yes C14H26O2 226.1933 Fatty Acyls Fatty acids Unsaturated FA myristoylcarnitine HMDB0005066 CAR(14:0) Yes C21H41NO4 371.3036 Fatty Acyls Fatty esters Acyl carnitines N-acetyl-1-methylhistidine* N-Acetyl-3-methylhistidine Yes C9H13N3O3 211.0957 Organic acids Amino acids and peptides Amino acids N-acetyl-3-methylhistidine* N-Acetyl-3-methylhistidine Yes C9H13N3O3 211.0957 Organic acids Amino acids and peptides Amino acids N-acetyl-aspartyl-glutamate (AG) C12270 HMDB0001067 N-Acetyl-Asp-Glu Yes C11H16N2O8 304.0907 Organic acids Amino acids and peptides Dipeptides N-acetyl-cadaverine N-Acetylcadaverine Yes C7H16N2O 144.1263 Organic acids Carboxylic acids Acetamides N-Acetyl-D-mannosamine 6-phosphate C04257 HMDB0001121 - No N-acetylalanine HMDB0000766 N-Acetylalanine Yes C5H9NO3 131.0582 Organic acids Amino acids and peptides Amino acids N-acetylarginine HMDB0004620 N-Acetylarginine Yes C8H16N4O3 216.1222 Organic acids Amino acids and peptides Amino acids N-acetylasparagine HMDB0006028 N-Acetylasparagine Yes C6H10N2O4 174.0641 Organic acids Amino acids and peptides Amino acids N-acetylaspartate (A) C01042 HMDB0000812 N-Acetylaspartic acid Yes C6H9NO5 175.0481 Organic acids Amino acids and peptides Amino acids N-acetylcitrulline C15532 HMDB0000856 N-Acetylcitrulline Yes C8H15N3O4 217.1063 Organic acids Amino acids and peptides Amino acids N-acetylcysteine C06809 HMDB0001890 N-Acetylcysteine Yes C5H9NO3S 163.0303 Organic acids Amino acids and peptides Amino acids N-acetylglucosamine 6-phosphate C00357 HMDB0001062 N-Acetyl-glucosamine 6-phosphate Yes C8H16NO9P 301.0563 Carbohydrates Monosaccharides Acylaminosugars N-acetylglucosaminylasparagine C04540 HMDB0000489 N-acetylglutamate C00624 HMDB0001138 N-Acetyl-mannosamine Yes C8H15NO6 221.0899 Organic oxygen compounds Organooxygen compounds Organooxygen compounds N-acetylglutamine N-Acetylglutamine Yes C7H12N2O4 188.0797 Organic acids Amino acids and peptides Amino acids N-acetylglycine HMDB0000532 N-Acetylglycine Yes C4H7NO3 117.0426 Organic acids Amino acids and peptides Amino acids N-acetylhistidine C02997 HMDB0032055 N-Acetylhistidine Yes C8H11N3O3 197.08 Organic acids Amino acids and peptides Amino acids N-acetylkynurenine (2) - No N-acetylleucine C02710 HMDB0011756 N-Acetylleucine Yes C8H15NO3 173.1052 Organic acids Amino acids and peptides Amino acids N-acetylmannosamine C00140 HMDB0000215 N-Acetyl-mannosamine Yes C8H15NO6 221.0899 Organic oxygen compounds Organooxygen compounds Organooxygen compounds N-acetylmethionine C02712 HMDB0011745 N-Acetylmethionine Yes C7H13NO3S 191.0616 Organic acids Amino acids and peptides Amino acids N-acetylmethionine sulfoxide N-Acetylmethionine sulfoxide Yes C7H13NO4S 207.0565 Organic acids Amino acids and peptides Amino acids N-acetylneuramite N-Acetyl-alpha-neuraminic acid Yes C11H19NO9 309.106 Carbohydrates Monosaccharides Sugar acids N-acetylphenylalanine C03519 HMDB0000512 N-Acetylphenylalanine Yes C11H13NO3 207.0895 Organic acids Amino acids and peptides Amino acids N-acetylputrescine C02714 HMDB0002064 N-Acetylputrescine Yes C6H14N2O 130.1106 Organic acids Carboxylic acids Acetamides N-acetylserine HMDB0002931 N-Acetylserine Yes C5H9NO4 147.0532 Organic acids Amino acids and peptides Amino acids N-acetyltaurine N-Acetyltaurine Yes C4H9NO4S 167.0252 Organic acids Organosulfonic acids Organosulfonic acids N-acetylthreonine N-Acetylthreonine Yes C6H11NO4 161.0688 Organic acids Amino acids and peptides Amino acids N-acetyltryptophan N-Acetyl-tryptophan Yes C13H14N2O3 246.1004 Organic acids Amino acids and peptides Amino acids N-acetyltyrosine C01657 HMDB0000866 N-Acetyltyrosine Yes C11H13NO4 223.0845 Organic acids Amino acids and peptides Amino acids N-acetylvaline N-Acetylvaline Yes C7H13NO3 159.0895 Organic acids Amino acids and peptides Amino acids N-alpha-acetylornithine C00437 HMDB0003357 N-Acetylornithine Yes C7H14N2O3 174.1004 Organic acids Amino acids and peptides Amino acids N-ethylglycinexylidide Monoethylglycinexylidide Yes C12H18N2O 206.1419 Organic acids Amino acids and peptides Amino acid amides N-formylmethionine C03145 HMDB0001015 N-Formylmethionine Yes C6H11NO3S 177.046 Organic acids Amino acids and peptides Amino acids N-formylphenylalanine - No N-methylpipecolate - No N-methylproline N-Methyl-proline Yes C6H11NO2 129.079 Organic acids Amino acids and peptides Amino acids N-monomethylarginine C03884 HMDB0029416 - No N-palmitoyl-sphinganine (d18:0/16:0) HMDB0011760 Cer(d18:0/16:0) Yes C34H69NO3 539.5277 Sphingolipids Ceramides DHCer N-palmitoyl-sphingosine (d18:1/16:0) C00195 HMDB0004949 Cer(d18:1/16:0) Yes C34H67NO3 537.5121 Sphingolipids Ceramides Cer N(1)-acetylspermine C02567 HMDB0001186 N1-Acetylspermine Yes C12H28N4O 244.2263 Organic acids Carboxylic acids Acetamides N1-Methyl-2-pyridone-5-carboxamide C05842 HMDB0004193 N1-Methyl-2-pyridone-5-carboxamide Yes C7H8N2O2 152.0586 Organoheterocyclic compounds Pyridinecarboxylic acids N-substituted nicotimides N1-methyladenosine C02494 HMDB0003331 1-Methyladenosine Yes C11H15N5O4 281.1124 Nucleic acids Purines Purine ribonucleosides N1-methylguanosine C04545 HMDB0001563 1-Methylguanosine Yes C11H15N5O5 297.1073 Nucleic acids Purines Purine ribonucleosides N1,N12-diacetylspermine C03413 HMDB0002172 N1,N12-Diacetylspermine Yes C14H30N4O2 286.2369 Organic acids Carboxylic acids Acetamides N2-methylguanosine HMDB0005862 2-Methylguanosine Yes C11H15N5O5 297.1073 Nucleic acids Purines Purine nucleosides N2,N2-dimethylguanosine HMDB0004824 N2,N2-Dimethylguanosine Yes C12H17N5O5 311.123 Nucleic acids Purines Purine nucleosides N2,N5-diacetylornithine - No N6-acetyllysine C02727 HMDB0000206 N6-Acetyllysine Yes C8H16N2O3 188.1161 Organic acids Amino acids and peptides Amino acids N6-carbamoylthreonyladenosine N6-Carbamoyl-L-threonyladenosine Yes C15H20N6O8 412.1343 Nucleic acids Purines Purine deoxyribonucleosides N6-carboxyethyllysine - No N6-carboxymethyllysine N(6)-Carboxymethyl-lysine Yes C8H16N2O4 204.111 Organic acids Amino acids and peptides Amino acids N6-methyladenosine HMDB0004044 N6-Methyladenosine Yes C11H15N5O4 281.1124 Nucleic acids Purines Purine deoxyribonucleosides N6-succinyladenosine Succinyladenosine Yes C14H17N5O8 383.1077 Nucleic acids Purines Purine nucleosides N6,N6,N6-trimethyllysine C03793 HMDB0001325 N-6-Trimethyllysine Yes C9H20N2O2 188.1525 Organic acids Amino acids and peptides Amino acids neopterin C05926 HMDB0000845 Neopterin Yes C9H11N5O4 253.0811 Organoheterocyclic compounds Pterins Biopterins nicotimide C00153 HMDB0001406 Niacimide Yes C6H6N2O 122.048 Organoheterocyclic compounds Pyridinecarboxylic acids Nicotimides nicotimide adenine dinucleotide (D+) C00003 HMDB0000902 D+ Yes C21H28N7O14P2 664.117 Nucleic acids Nicotimides Nicotimide dinucleotides nicotimide ribonucleotide (NMN) C00455 HMDB0000229 Nicotimide ribotide Yes C11H15N2O8P 334.0566 Nucleic acids Nicotimides Nicotimide nucleotides nicotimide riboside C03150 HMDB0000855 Nicotimide riboside Yes C11H15N2O5 255.0981 Organic oxygen compounds Organooxygen compounds Organooxygen compounds nicotite C00253 HMDB0001488 Nicotinic acid Yes C6H5NO2 123.032 Organoheterocyclic compounds Pyridines Pyridinecarboxylic acids nicotite ribonucleoside C05841 HMDB0006809 D-Ribosylnicotite Yes C11H13NO6 255.0743 Carbohydrates Glycosyl compounds Glycosylamines nodecanoate (19:0) C16535 HMDB0000772 Nodecylic acid Yes C19H38O2 298.2872 Fatty Acyls Fatty acids Saturated FA O-sulfo-L-tyrosine Sulfotyrosine Yes C9H11NO6S 261.0307 Organic acids Amino acids and peptides Amino acids octanoylcarnitine C02838 HMDB0000791 CAR(8:0) Yes C15H29NO4 287.2097 Fatty Acyls Fatty esters Short-chain acyl carnitines oleamide C19670 HMDB0002117 Oleamide Yes C18H35NO 281.2719 Fatty Acyls Fatty amides Primary amides oleate/vaccete (18:1) Oleic acid Yes C18H34O2 282.2559 Fatty Acyls Fatty acids Unsaturated FA oleoyl ethanolamide HMDB0002088 Oleoyl-EA Yes C20H39NO2 325.2981 Fatty Acyls Fatty amides N-acyl ethanolamines oleoylcarnitine CAR(18:1) Yes C25H47NO4 425.3505 Fatty Acyls Fatty esters Acyl carnitines ophthalmate HMDB0005765 Ophthalmic acid Yes C11H19N3O6 289.1274 Organic acids Amino acids and peptides Peptides ornithine C00077 HMDB0000214 Ornithine Yes C5H12N2O2 132.0899 Organic acids Amino acids and peptides Amino acids orotate C00295 HMDB0000226 Orotic acid Yes C5H4N2O4 156.0171 Nucleic acids Pyrimidines Pyrimidinecarboxylic acids orotidine C01103 HMDB0000218 Orotidine Yes C10H12N2O8 288.0594 Carbohydrates Glycosyl compounds Glycosylamines oxalate (ethanedioate) C00209 HMDB0002329 Oxalic acid Yes C2H2O4 89.9953 Fatty Acyls Fatty acids Dicarboxylic acids oxypurinol C07599 HMDB0000786 Oxypurinol Yes C5H4N4O2 152.0334 Nucleic acids Purines Xanthines p-cresol sulfate HMDB0011635 p-Cresol sulfate Yes C7H8O4S 188.0143 Organic acids Arylsulfates Phenylsulfates p-cresol-glucuronide* HMDB0011686 P-Cresol glucuronide Yes C13H16O7 284.0896 Carbohydrates Monosaccharides Sugar acids palmitate (16:0) C00249 HMDB0000220 Palmitic acid Yes C16H32O2 256.2402 Fatty Acyls Fatty acids Saturated FA palmitoleate (16:1n7) C08362 HMDB0003229 Palmitoleic acid Yes C16H30O2 254.2246 Fatty Acyls Fatty acids Unsaturated FA palmitoyl dihydrosphingomyelin (d18:0/16:0)* SM(d18:0/16:0) Yes C39H81N2O6P 704.5832 Sphingolipids Sphingomyelins SM palmitoyl ethanolamide C16512 HMDB0002100 Palmitoyl-EA Yes C18H37NO2 299.2824 Fatty Acyls Fatty amides N-acyl ethanolamines palmitoyl sphingomyelin (d18:1/16:0) SM(d18:1/16:0) Yes C39H79N2O6P 702.5676 Sphingolipids Sphingomyelins SM palmitoylcarnitine C02990 HMDB0000222 CAR(16:0) Yes C23H45NO4 399.3349 Fatty Acyls Fatty esters Acyl carnitines palmitoylcholine O-Palmitoylcholine Yes C21H44NO2 342.3372 Organic nitrogen compounds Cholines Cholines pantothete C00864 HMDB0000210 Pantothenic acid Yes C9H17NO5 219.1107 Organic acids Amino acids and peptides Amino acids pelargote (9:0) C01601 HMDB0000847 Pelargonic acid Yes C9H18O2 158.1307 Fatty Acyls Fatty acids Saturated FA penicillin G C05551 HMDB0015186 Penicillin G Yes C16H18N2O4S 334.0987 Organoheterocyclic compounds Beta lactams Penicillins phenol sulfate Phenyl hydrogen sulfate Yes C6H6O4S 173.9987 Organic acids Arylsulfates Phenylsulfates phenylacetylglutamate - No phenylacetylglutamine C04148 HMDB0006344 alpha-N-Phenylacetylglutamine Yes C13H16N2O4 264.111 Organic acids Amino acids and peptides Amino acids phenylacetylglycine C05598 HMDB0000821 Phenylacetylglycine Yes C10H11NO3 193.0739 Organic acids Amino acids and peptides Amino acids phenylalanine C00079 HMDB0000159 Phenylalanine Yes C9H11NO2 165.079 Organic acids Amino acids and peptides Amino acids phenylalanylalanine Phe-Ala Yes C12H16N2O3 236.1161 Organic acids Amino acids and peptides Dipeptides phenylalanylglycine Phe-Gly Yes C11H14N2O3 222.1004 Organic acids Amino acids and peptides Dipeptides phenyllactate (PLA) C01479 HMDB0000779 Phenyllactic acid Yes C9H10O3 166.063 Polyketides Phenylpropanoids Phenylpropanoic acids phosphate C00009 HMDB0002142 Phosphoric acid Yes PH3O4 97.9769 Homogeneous non-metal compounds Non-metal phosphates Non-metal phosphates phosphoenolpyruvate (PEP) C00074 HMDB0000263 Phosphoenolpyruvic acid Yes C3H5O6P 167.9824 Organic acids Short-chain acids and derivatives Short-chain acids and derivatives phosphoethanolamine C00346 HMDB0000224 Phosphoethanolamine Yes C2H8NO4P 141.0191 Organic acids Phosphate esters Phosphoethanolamines phosphopantetheine C01134 HMDB0001416 Pantetheine 4'-phosphate Yes C11H23N2O7PS 358.0964 Organic acids Amino acids and peptides Amino acids phytosphingosine C12144 HMDB0004610 Phytosphingosine Yes C18H39NO3 317.293 Sphingolipids Sphingoid bases Phytosphingosines picolite C10164 HMDB0002243 Picolinic acid Yes C6H5NO2 123.032 Organoheterocyclic compounds Pyridines Pyridinecarboxylic acids pimelate (heptanedioate) C02656 HMDB0000857 Pimelic acid Yes C7H12O4 160.0736 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids pipecolate C00408 HMDB0000070 Pipecolic acid Yes C6H11NO2 129.079 Organic acids Amino acids and peptides Amino acids piperine C03882 HMDB0029377 Piperine Yes C17H19NO3 285.1365 Alkaloids Alkaloids Other alkaloids pregn steroid monosulfate* Pregnenolone sulfate Yes C21H32O5S 396.197 Sterol Lipids Steroid conjugates Steroid sulfates pregnen-diol disulfate* - No pregnenolone sulfate Pregnenolone sulfate Yes C21H32O5S 396.197 Sterol Lipids Steroid conjugates Steroid sulfates pro-hydroxy-pro Pro-hydroxyPro Yes C10H16N2O4 228.111 Organic acids Amino acids and peptides Dipeptides proline C00148 HMDB0000162 Proline Yes C5H9NO2 115.0633 Organic acids Amino acids and peptides Amino acids prolylglutamine Pro-Gln Yes C10H17N3O4 243.1219 Organic acids Amino acids and peptides Dipeptides prolylglycine Pro-Gly Yes C7H12N2O3 172.0848 Organic acids Amino acids and peptides Dipeptides propionylcarnitine C03017 HMDB0000824 CAR(3:0) Yes C10H19NO4 217.1314 Fatty Acyls Fatty esters Short-chain acyl carnitines pseudoephedrine C02765 HMDB0001943 Pseudoephedrine Yes C10H15NO 165.1154 Benzenoids Benzenes Phenylpropanes pseudouridine C02067 HMDB0000767 Pseudouridine Yes C9H12N2O6 244.0695 Nucleic acids Pyrimidines Pyrimidine ribonucleosides pterin C00715 HMDB0000802 Pterin Yes C6H5N5O 163.0494 Organoheterocyclic compounds Pterins Pterins putrescine C00134 HMDB0001414 Putrescine Yes C4H12N2 88.1 Fatty Acyls Fatty amines Monoalkylamines pyridoxal C00250 HMDB0001545 Pyridoxal Yes C8H9NO3 167.0582 Organoheterocyclic compounds Pyridine carboxaldehydes Pyridoxals pyridoxal phosphate C00018 HMDB0001491 Pyridoxal 5'-phosphate Yes C8H10NO6P 247.0246 Organoheterocyclic compounds Pyridine carboxaldehydes Pyridoxals pyridoxamine C00534 HMDB0001431 Pyridoxamine Yes C8H12N2O2 168.0899 Organoheterocyclic compounds Pyridoxamines Pyridoxamines pyridoxamine phosphate C00647 HMDB0001555 Pyridoxamine 5'-phosphate Yes C8H13N2O5P 248.0562 Organoheterocyclic compounds Pyridoxamines Pyridoxamines pyridoxate C00847 HMDB0000017 4-Pyridoxic acid Yes C8H9NO4 183.0532 Organoheterocyclic compounds Pyridines Pyridinecarboxylic acids pyridoxine (Vitamin B6) C00314 HMDB0000239 Pyridoxine Yes C8H11NO3 169.0739 Organoheterocyclic compounds Pyridoxines Pyridoxines pyroglutamine* Pyroglutamine Yes C5H8N2O2 128.0586 Organic acids Amino acids and peptides Amino acids pyruvate C00022 HMDB0000243 Pyruvic acid Yes C3H4O3 88.016 Organic acids Short-chain acids and derivatives Short-chain acids and derivatives quinolite C03722 HMDB0000232 Quinolinic acid Yes C7H5NO4 167.0219 Organoheterocyclic compounds Pyridines Pyridinecarboxylic acids raffinose C00492 HMDB0003213 Raffinose Yes C18H32O16 504.169 Carbohydrates Glycosyl compounds O-glycosyl compounds retil C00376 HMDB0001358 Retil Yes C20H28O 284.214 Prenol Lipids Isoprenoids Retinoids retinol (Vitamin A) C00473 HMDB0000305 Retinol Yes C20H30O 286.2297 Prenol Lipids Isoprenoids Retinoids ribitol C00379 HMDB0002917 Ribitol Yes C5H12O5 152.0685 Carbohydrates Monosaccharides Sugar alcohols riboflavin (Vitamin B2) C00255 HMDB0000244 Riboflavin Yes C17H20N4O6 376.1383 Organoheterocyclic compounds Alloxazines and isoalloxazines Flavins ribote C01685 HMDB0000867 Ribonic acid Yes C5H10O6 166.0477 Carbohydrates Monosaccharides Sugar acids ribose C00121 HMDB0000283 Ribose Yes C5H10O5 150.0528 Carbohydrates Monosaccharides Monosaccharides ribulose/xylulose Xylulose Yes C5H10O5 150.0528 Carbohydrates Monosaccharides Monosaccharides S-1-pyrroline-5-carboxylate C04322 HMDB0001301 1-Pyrroline-5-carboxylic acid Yes C5H7NO2 113.0477 Organoheterocyclic compounds Pyrrolines Pyrrolines S-adenosylhomocysteine (SAH) C00021 HMDB0000939 S-Adenosylhomocysteine Yes C14H20N6O5S 384.1216 Carbohydrates Glycosyl compounds Glycosylamines S-adenosylmethionine (SAM) C00019 HMDB0001185 S-Adenosylmethionine Yes C15H23N6O5S 399.1451 Carbohydrates Glycosyl compounds Glycosylamines S-carboxymethyl-L-cysteine HMDB0029415 S-Carboxymethyl-cysteine Yes C5H9NO4S 179.0252 Organic acids Amino acids and peptides Amino acids S-methylcysteine HMDB0002108 Methylcysteine Yes C4H9NO2S 135.0354 Organic acids Amino acids and peptides Amino acids S-methylglutathione S-Methylglutathione Yes C11H19N3O6S 321.0995 Organic acids Amino acids and peptides Peptides saccharopine C00449 HMDB0000279 Saccharopine Yes C11H20N2O6 276.1321 Organic acids Amino acids and peptides Amino acids salicylate C00805 HMDB0001895 Salicylic acid Yes C7H6O3 138.0317 Benzenoids Benzoic acids Salicylic acids salicyluric glucuronide* - No sarcosine (N-Methylglycine) C00213 HMDB0000271 Sarcosine Yes C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids sebacate (decanedioate) C08277 HMDB0000792 Sebacic acid Yes C10H18O4 202.1205 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids sedoheptulose-7-phosphate Sedoheptulose 7-phosphate Yes C7H15O10P 290.0403 Carbohydrates Monosaccharides Monosaccharide phosphates serine C00065 HMDB0000187 Serine Yes C3H7NO3 105.0426 Organic acids Amino acids and peptides Amino acids solanidine C06543 HMDB0003236 Solanidine Yes C27H43NO 397.3345 Sterol Lipids Sterols Solanidines spermidine C00315 HMDB0001257 Spermidine Yes C7H19N3 145.1579 Organic nitrogen compounds Amines Dialkylamines spermine C00750 HMDB0001256 Spermine Yes C10H26N4 202.2157 Organic nitrogen compounds Amines Dialkylamines sphinganine C00836 HMDB0000269 Sphinganine Yes C18H39NO2 301.2981 Sphingolipids Sphingoid bases Sphinganines sphingomyelin (d18:1/14:0, d16:1/16:0)* HMDB0012097 SM(d32:1) Yes C37H75N2O6P 674.5363 Sphingolipids Sphingomyelins SM sphingomyelin (d18:1/15:0, d16:1/17:0)* SM(d33:1) Yes C38H77N2O6P 688.5519 Sphingolipids Sphingomyelins SM sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) SM(d18:1/17:0) Yes C40H81N2O6P 716.5832 Sphingolipids Sphingomyelins SM sphingomyelin (d18:1/18:1, d18:2/18:0) C00550 HMDB0012101 SM(d36:2) Yes C41H81N2O6P 728.5832 Sphingolipids Sphingomyelins SM sphingomyelin (d18:1/20:0, d16:1/22:0)* SM(d38:1) Yes C43H87N2O6P 758.6302 Sphingolipids Sphingomyelins SM sphingomyelin (d18:1/20:1, d18:2/20:0)* SM(d38:2) Yes C43H85N2O6P 756.6145 Sphingolipids Sphingomyelins SM sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* SM(d18:1/21:0) Yes C44H89N2O6P 772.6458 Sphingolipids Sphingomyelins SM sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* SM(d40:2) Yes C45H89N2O6P 784.6458 Sphingolipids Sphingomyelins SM sphingomyelin (d18:1/24:1, d18:2/24:0)* SM(d42:2) Yes C47H93N2O6P 812.6771 Sphingolipids Sphingomyelins SM sphingomyelin (d18:2/16:0, d18:1/16:1)* SM(d34:2) Yes C39H77N2O6P 700.5519 Sphingolipids Sphingomyelins SM sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* SM(d18:2/23:0) Yes C46H91N2O6P 798.6615 Sphingolipids Sphingomyelins SM sphingomyelin (d18:2/24:1, d18:1/24:2)* SM(d18:2/24:1) Yes C47H91N2O6P 810.6615 Sphingolipids Sphingomyelins SM sphingosine C00319 HMDB0000252 Sphingosine Yes C18H37NO2 299.2824 Sphingolipids Sphingoid bases Sphingosines stachydrine C10172 HMDB0004827 Stachydrine Yes C7H14NO2 144.1025 Organic acids Amino acids and peptides Amino acids stearate (18:0) C01530 HMDB0000827 Stearic acid Yes C18H36O2 284.2715 Fatty Acyls Fatty acids Saturated FA stearidote (18:4n3) C16300 HMDB0006547 Stearidonic acid Yes C18H28O2 276.2089 Fatty Acyls Fatty acids Unsaturated FA stearoyl ethanolamide HMDB0013078 Stearoyl-EA Yes C20H41NO2 327.3137 Fatty Acyls Fatty amides N-acyl ethanolamines stearoyl sphingomyelin (d18:1/18:0) C00550 HMDB0012107 SM(d18:1/18:0) Yes C41H83N2O6P 730.5989 Sphingolipids Sphingomyelins SM stearoylcarnitine HMDB0000848 CAR(18:0) Yes C25H49NO4 427.3662 Fatty Acyls Fatty esters Acyl carnitines suberate (octanedioate) C08278 HMDB0000893 Suberic acid Yes C8H14O4 174.0892 Organic acids Organic dicarboxylic acids Organic dicarboxylic acids suberoyl carnitine CAR(DC8:0) Yes C15H27NO6 317.1838 Fatty Acyls Fatty esters Short-chain acyl carnitines succite C00042 HMDB0000254 Succinic acid Yes C4H6O4 118.0266 Organic acids TCA acids TCA acids succinimide C07273 METPA1878 Succinimide Yes C4H5NO2 99.032 Organoheterocyclic compounds Carboxylic acids Dicarboximides succinylcarnitine CAR(DC4:0) Yes C11H19NO6 261.1212 Fatty Acyls Fatty esters Short-chain acyl carnitines sucrose C00089 HMDB0013785 Sucrose Yes C12H22O11 342.1162 Carbohydrates Disaccharides Disaccharides sulfate* C00059 HMDB0001448 - No tartrote (hydroxymalote) C02287 HMDB0035227 - No taurine C00245 HMDB0000251 Taurine Yes C2H7NO3S 125.0147 Organic acids Sulfonic acids Sulfonic acids taurochenodeoxycholate C05465 HMDB0000951 Taurochenodeoxycholic acid Yes C26H45NO6S 499.2968 Sterol Lipids Bile acids C24 bile acids taurocholate C05122 HMDB0000036 Taurocholic acid Yes C26H45NO7S 515.2917 Sterol Lipids Bile acids C24 bile acids taurocholete sulfate Taurocholete sulfate Yes C26H43NO10S2 593.2328 Sterol Lipids Bile acids C24 bile acids taurodeoxycholate C05463 HMDB0000896 Taurodeoxycholic acid Yes C26H45NO6S 499.2968 Sterol Lipids Bile acids C24 bile acids taurolithocholate C02592 HMDB0000722 Taurolithocholic acid Yes C26H45NO5S 483.3018 Sterol Lipids Bile acids C24 bile acids taurolithocholate 3-sulfate C03642 HMDB0002580 Taurolithocholic acis sulfate Yes C26H45NO8S2 563.2587 Sterol Lipids Bile acids C24 bile acids tauroursodeoxycholate Tauroursodeoxycholic acid Yes C26H45NO6S 499.2968 Sterol Lipids Bile acids C24 bile acids tetradecanedioate C11002 HMDB0000872 Tetradecanedioic acid Yes C14H26O4 258.1831 Fatty Acyls Fatty acids Dicarboxylic acids tetrahydrocortisol C05472 HMDB0000949 Tetrahydrocortisol Yes C21H34O5 366.2406 Sterol Lipids Steroids C21 steroids theobromine C07480 HMDB0002825 Theobromine Yes C7H8N4O2 180.0647 Nucleic acids Purines Xanthines theophylline C07130 HMDB0001889 Theophylline Yes C7H8N4O2 180.0647 Nucleic acids Purines Xanthines thiamin (Vitamin B1) C00378 HMDB0000235 Thiamine Yes C12H17N4OS 265.1123 Nucleic acids Pyrimidines Thiamines threote C01620 HMDB0000943 Threonic acid Yes C4H8O5 136.0372 Carbohydrates Monosaccharides Sugar acids threonine C00188 HMDB0000167 Threonine Yes C4H9NO3 119.0582 Organic acids Amino acids and peptides Amino acids threonylphenylalanine Thr-Phe Yes C13H18N2O4 266.1267 Organic acids Amino acids and peptides Dipeptides thymine C00178 HMDB0000262 Thymine Yes C5H6N2O2 126.0429 Nucleic acids Pyrimidines Pyrimidines tiglylcarnitine CAR(4:1(2Me)) Yes C12H21NO4 243.1471 Fatty Acyls Fatty esters Short-chain acyl carnitines trans-4-hydroxyproline C01157 HMDB0000725 trans-4-Hydroxyproline Yes C5H9NO3 131.0582 Organic acids Amino acids and peptides Amino acids trans-urocate C00785 HMDB0000301 Urocanic acid Yes C6H6N2O2 138.0429 Organoheterocyclic compounds Imidazoles Imidazolyl carboxylic acids tricarballylate C19806 HMDB0031193 1,2,3-Propanetricarboxylic acid Yes C6H8O6 176.0321 Organic acids Carboxylic acids Tricarboxylic acids tricosanoyl sphingomyelin (d18:1/23:0)* SM(d18:1/23:0) Yes C46H93N2O6P 800.6771 Sphingolipids Sphingomyelins SM trigonelline (N'-methylnicotite) C01004 HMDB0000875 Trigonelline Yes C7H7NO2 137.0477 Organoheterocyclic compounds Pyridines Pyridinecarboxylic acids trimethylamine N-oxide C01104 HMDB0000925 Trimethylamine N-oxide Yes C3H9NO 75.0684 Organic nitrogen compounds Amine oxides Trisubstituted amine oxides tryptophan C00078 HMDB0000929 Tryptophan Yes C11H12N2O2 204.0899 Organic acids Amino acids and peptides Amino acids tryptophan betaine tryptophylglycine Trp-Gly Yes C13H15N3O3 261.1113 Organic acids Amino acids and peptides Dipeptides tyrosine C00082 HMDB0000158 Tyrosine Yes C9H11NO3 181.0739 Organic acids Amino acids and peptides Amino acids tyrosylglycine Tyr-Gly Yes C11H14N2O4 238.0954 Organic acids Amino acids and peptides Dipeptides UDP-acetylglucosamine/galactosamine - No UDP-galactose C00052 HMDB0000302 UDP-galactose Yes C15H24N2O17P2 566.055 Nucleic acids Pyrimidines Pyrimidine ribonucleoside diphosphates UDP-glucose C00029 HMDB0000286 UDP-glucose Yes C15H24N2O17P2 566.055 Nucleic acids Pyrimidines Pyrimidine ribonucleoside diphosphates UDP-glucurote C00167 HMDB0000935 UDP-glucuronic acid Yes C15H22N2O18P2 580.0343 Nucleic acids Pyrimidines Pyrimidine ribonucleoside diphosphates undecanedioate HMDB0000888 Undecanedioic acid Yes C11H20O4 216.1362 Fatty Acyls Fatty acids Dicarboxylic acids uracil C00106 HMDB0000300 Uracil Yes C4H4N2O2 112.0273 Nucleic acids Pyrimidines Pyrimidines urate C00366 HMDB0000289 Uric acid Yes C5H4N4O3 168.0283 Nucleic acids Purines Xanthines urea C00086 HMDB0000294 Urea Yes CH4N2O 60.0324 Organic acids Carboximidic acids Isoureas uridine C00299 HMDB0000296 Uridine Yes C9H12N2O6 244.0695 Nucleic acids Pyrimidines Pyrimidine ribonucleosides uridine 2'-monophosphate (2'-UMP)* - No uridine 3'-monophosphate (3'-UMP) 3'-UMP Yes C9H13N2O9P 324.0359 Nucleic acids Pyrimidines Pyrimidine ribonucleoside monophosphates uridine 5'-monophosphate (UMP) C00105 HMDB0000288 UMP Yes C9H13N2O9P 324.0359 Nucleic acids Pyrimidines Pyrimidine ribonucleoside monophosphates valerylglycine HMDB0000927 Valerylglycine Yes C7H13NO3 159.0895 Organic acids Amino acids and peptides Amino acids valine C00183 HMDB0000883 Valine Yes C5H11NO2 117.079 Organic acids Amino acids and peptides Amino acids valylglutamine Val-Gln Yes C10H19N3O4 245.1376 Organic acids Amino acids and peptides Dipeptides valylglycine Val-Gly Yes C7H14N2O3 174.1004 Organic acids Amino acids and peptides Dipeptides valylleucine Val-Leu Yes C11H22N2O3 230.163 Organic acids Amino acids and peptides Dipeptides vanillylmandelate (VMA) C05584 HMDB0000291 Vanillylmandelic acid Yes C9H10O5 198.0528 Benzenoids Phenylacetic acids Phenylacetic acids vecuronium Vecuronium Yes C34H57N2O4 557.4318 Sterol Lipids Steroids C19 steroids venlafaxine C07187 HMDB0005016 Venlafaxine Yes C17H27NO2 277.2042 Benzenoids Phenylpropylamines Phenylpropylamines xanthine C00385 HMDB0000292 Xanthine Yes C5H4N4O2 152.0334 Nucleic acids Purines Xanthines xanthosine C01762 HMDB0000299 Xanthosine Yes C10H12N4O6 284.0757 Nucleic acids Purines Purine ribonucleosides