metabolite_name CMH1157 CMH1281 CMH1296 CMH1325 CMH1547 CMH1860 CMH346 CMH435 CMH569 CMH617 CMH64 CMH677 CMH689 CMH70898 CMH70994 CMH71000 CMH71281 CMH759 CMH774 CMH780 CMH792 CMH825 CMH86 CMH872 CMH885 CMH8902 CMH8906 CMH8910 CMH8917 CMH8920 CMH8925 CMH8926 CMH8935 CMH9003 CMH9006 CMH9011 CMH9013 CMH9023 CMH9027 CMH9032 CMH9036 CMH9101 CMH9127 CMH9608 CMH9609 CMH9611 CMH9612 1,2-dilinoleoyl-GPC (18:2/18:2) 109228352 49074356 118621616 108505792 103587560 41325140 184400432 40233724 25295308 96912488 152297856 61681724 76006672 164732384 47323400 143616960 34793172 131609384 37714696 113159440 9617931 37368360 118051072 21922504 59815496 45083020 34113556 112222240 71216096 28739434 63637996 32920810 20773652 37723488 69697336 70941392 53347436 109553008 116682104 11008164 110043256 72518712 99327040 33624804 52481728 50473940 62038944 1,2-dioleoyl-GPC (18:1/18:1)* 83453104 119318352 75186816 107076040 117925336 71071672 153018112 86216240 89349808 73385680 149541504 62140340 94665608 115558472 117272616 159831632 105282880 96325240 86520584 60824732 75860880 97180216 166239344 57542416 91013968 86947264 65255660 135189568 102488504 94248496 105956344 67974800 64020400 81460096 328909248 126875072 83838048 145451568 95948520 45696672 166595344 115924480 128833424 204418272 149848160 101327584 141446816 1,2-dioleoyl-GPE (18:1/18:1) 26930968 22407858 21697964 28106276 34062588 24982350 38794852 41155720 19328320 22529320 47636904 11660849 17102114 47055004 55622824 57043628 21495356 20260146 16253226 21696898 22441474 19651720 44952568 8081496 36664912 39482004 30371534 40747832 31030502 18721800 46939544 18860138 20856194 27693100 90275152 55589372 52098776 32259000 32476684 18450348 49251360 36793972 43554808 41915796 51740456 41333384 72610920 1,2-dioleoyl-GPG (18:1/18:1) 3017463 1220352 2551756 2179577 2791092 3901832 2207185 1397117 1416144 3515662 1383899 3485384 2911992 4735085 2067278 1352080 2160616 2110929 4414580 2800904 388184 10928789 1895412 691638 1909910 4173519 1716109 2265629 1567318 2718845 2285640 1221249 1682198 5115601 1870423 1406442 1782097 3816422 605577 1538698 3596625 3809828 1815072 2603357 1466753 3127447 4474841 1,2-dipalmitoyl-GPC (16:0/16:0) 225583200 179850768 195760368 178646624 165971680 158931984 130082608 157768880 218679552 166608704 137541936 123666648 159734560 158602080 99706240 173968192 123023840 162529648 170532384 120221104 228656880 152037072 123391120 155099888 153669488 131588968 132528920 143006272 160472464 126049712 121284568 125973256 146858064 152366432 105797280 119090424 143050144 115724456 127041592 97074104 103036192 165970592 108531336 129761960 122682888 166825184 121204272 1,5-anhydroglucitol (1,5-AG) 1546080 465930 3504859 12443415 3513574 8267555 10744610 1866887 6055526 2704362 6117949 5209894 6082063 682528 555833 2266399 1732485 1638863 3019226 1217164 1344931 13960601 2084249 1997205 710358 1087683 2166377 869463 684068 722108 660589 1285501 1062700 1072139 299694 1389438 971714 1555683 1272197 1554051 798584 1001112 1570195 2345871 944010 1-(1-enyl-oleoyl)-GPE (P-18:1)* 155082 162804 429643 289647 1733121 189829 265976 304743 953983 399450 3201559 384713 1248978 3250052 171977 136170 110848 65254 335757 525653 335174 455925 536155 156451 638201 82146 240915 535907 213500 99321 1953973 173607 295891 116284 743761 790907 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 5522344 7280894 6941930 6880488 4585122 6535239 6568028 7599595 13612045 4807593 4317324 5925245 6122354 8471506 3115810 4786190 3725061 4678054 5826699 7288950 7441482 24418160 7332642 11006275 8242840 15401396 4146576 4701008 6096796 8505772 3653013 7360424 5131761 9078004 1629314 1818867 8249836 5241513 5176681 4919242 5122071 4111332 3915319 3606825 5702377 6230404 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 45097596 43066324 36688240 31525442 32257916 26139256 23642202 25556630 42131156 42588376 23686520 21602750 18175020 41306588 17553470 27011876 22249346 29782656 39303168 27784434 39441428 44577768 37239716 34013004 29213232 33026506 25924622 30600162 40544260 21047330 18202084 31343746 17490814 37206116 20152408 18442044 19785362 26198668 20221736 19485744 21605628 30097554 18345436 26540494 21100636 32774014 25607504 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 2479099 2432821 4285159 2591174 1545736 1841043 2664073 772818 2851606 1504235 1764157 1838605 2609121 1572378 450925 591306 1790242 371255 2811786 2052318 1003518 2752300 636126 733588 829997 358219 601870 899456 1014946 269786 1408099 743888 1135902 484324 696573 600203 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 5337526 5176159 5407977 2836821 2757447 1359332 2059924 840098 1878331 4789899 1610673 1189877 1538848 2492398 480583 1193876 1225008 1886627 3594642 1515986 1591149 1581958 1125410 1563910 740392 2108272 1381313 1624823 1769413 1072403 1086935 818325 643003 1756153 870114 1569893 760134 1149560 3000445 904027 1126780 1183669 1147983 1166813 1024249 1360653 1289579 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 3266623 3919999 4008053 3452704 2698579 3030653 2476816 3475935 5408204 3187266 2585171 1758450 2935928 4545172 1657496 1772900 1288687 1873082 3325231 2336647 4310344 4464804 3381710 3317200 3151954 3689819 1453751 2600275 2129061 1730928 1478531 1982349 1537151 3118912 2661478 1859492 2398014 2315013 882831 1145761 3012216 2103346 1771144 2304873 1815897 1813291 2451279 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 16191292 16808080 13539266 10460826 11831708 6900248 6087131 6260271 14630178 15871037 7781385 4666100 5497808 11680471 3651937 6224765 5636776 6667772 13170881 6199073 13985360 7121677 7083574 8956537 4542073 6986915 6076909 6945065 7346833 3437307 4191792 4782461 3639256 7195030 7037737 6147584 4956301 5303888 4652512 4238156 5797412 7256507 4586420 5330396 6030367 6622200 6380803 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 266897 217215 131550 159953 690018 524417 235805 753573 428247 247265 249381 430993 261554 137196 349642 185881 107725 231757 134042 224522 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 10179360 10996932 7484963 8950685 6264814 5882346 4754968 7431202 16763263 8216020 4493942 4133175 5491821 10389298 3487116 4777874 3242292 5183854 9046892 6326282 8444372 16402147 8912604 5715174 9876894 17535416 5032144 8283021 9674248 7241106 4356606 4759178 5384814 11609725 7642573 6404332 6985972 7978461 2413408 3541421 8407930 5789275 5696609 9259577 4630130 8149232 8005722 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 835956 486698 224860 175742 224959 626543 4577915 886301 174600 240749 128310 1395385 203716 1976085 200702 751779 145207 162149 153054 3905549 893431 102442 396869 745141 262542 3123849 1117146 410393 1795732 604494 231682 3458896 126489 75056 274167 901690 2383777 163185 1427099 311128 120388 829272 715658 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 31576458 20201350 36200544 21040330 21371492 37917588 40596232 52310928 31935498 32113034 30095008 38464464 33306804 53478760 32021762 45707276 45379968 50981320 20070136 33934696 32284170 74258232 37773000 35452812 50714280 53274668 44181056 45897468 39101220 35978612 42410260 57753436 33180988 47693108 34257776 25061484 43547332 47000608 22870086 33233544 47814224 54204828 38469272 44241356 34612716 49817012 43728412 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 5113880 4046725 9929292 2907070 2868014 6029125 9140254 5548033 3171494 5481488 3317765 5584562 7412261 10837977 4622341 7836595 8521491 8416321 2788641 4426900 1780505 6996269 1938144 2713216 4299047 8000849 6508024 7401419 3639804 4348395 4887800 5506602 3708722 6703458 5652751 6108654 5383232 6531961 6923777 4428593 7206739 7608531 7391270 6050284 7063481 7049394 7876961 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 7659533 6317484 8191178 3844309 4782536 4747582 5047833 4452987 7518728 8125331 5015370 4310301 5175337 7514934 3764378 5316385 5668789 6110703 5569981 4012195 5129237 7257484 3918552 3526579 4316981 6766853 4093870 6237608 4350481 2991008 5370824 4909713 3558643 5605640 5693122 4346814 4823349 5223759 3506448 5514680 7039506 5131027 5219488 4875141 5311706 6043158 1-(1-enyl-stearoyl)-GPE (P-18:0)* 535143 356651 246469 71348 553166 1656692 4863089 666463 572686 853409 762276 3530882 745283 6032371 497387 993377 152657 94974 13006673 1796141 291499 859276 1575336 610447 7757824 1555947 946357 4821820 1437441 519058 4232606 205846 593617 1434282 4327547 384155 232649 3076246 544973 905591 373507 1374704 1351395 1-arachidonoyl-GPC (20:4n6)* 5806701 2058354 9764569 7343237 6969298 3008490 8691309 3872310 1518313 7151756 7614791 18353380 9239395 2571417 3343128 132068 11585828 5845366 6516518 2318520 2171928 14163784 2119717 11115910 14757919 3446564 26760550 6241016 23453846 9261795 10353026 14220761 12927841 2186356 559742 13548051 33733728 16761918 2302251 5667241 10001008 9211482 5167399 13884994 14856189 1-arachidonoyl-GPE (20:4n6)* 8825211 5306650 10259449 13901013 7252342 13443681 8124513 5464492 2889046 12332901 6160729 8970577 8347008 4652037 1008010 2701323 770672 19553656 9910160 9102393 8811293 3147144 18492776 10156742 16548087 17276908 7765408 27576622 8626240 23158802 15420440 12940515 16684744 20049860 1453828 21921292 29581290 21092336 3391321 3623389 9089519 11998903 13470469 6264882 16709921 17833928 1-arachidonoyl-GPI (20:4)* 4068648 2627183 12654270 3150161 7017285 10276967 8833915 14175083 7084039 806311 5743664 8581921 4491918 19955392 1791749 1933889 3363570 3096444 5042668 4678208 10973964 14632257 3837604 14063692 37402416 6291310 19719894 2291464 20323796 20312396 4977305 10913236 31271108 11005965 7974166 25116990 9530443 44184168 4054678 11261698 14926448 17206770 11244762 8063820 7195907 12888566 1-arachidonylglycerol (20:4) 7221070 4508134 1674891 4462122 5744517 1222265 2468952 21554292 2933516 12674114 1836007 3231152 4219530 8726972 648093 8095267 2231490 1701446 8843911 4665524 2012472 4986751 19791192 854010 7468988 16383274 1300343 19749208 14573268 3247575 8686099 9596325 2402773 11513045 276383 3940872 3921470 13297613 1953999 348104 3738119 5829346 3127670 561773 6343902 7871759 1-dihomo-linolenylglycerol (20:3) 5085952 2873188 1156736 3413833 3292241 614351 1280159 3718271 2791627 10866476 1951528 1475354 1976990 1953161 1658368 1152050 793089 4477684 1807542 1270100 3039441 6588970 433666 2006091 5392251 465735 7414982 4270753 1406237 3053482 2634800 837112 4968996 267762 1487028 2121189 14018112 617498 1026281 2043222 1209477 510228 1697019 2963914 1-dihomo-linoleoylglycerol (20:2) 342413 579260 255499 296693 235816 227576 245683 1242796 295230 970688 553916 65308 395588 397961 386336 141811 168555 152595 488788 1169292 420513 651076 129066 1869913 414005 286799 945141 484263 158447 1663365 310749 2930791 182578 446373 464167 1-docosahexaenoylglycerol (22:6) 471915 1241405 424198 510848 843090 448900 805888 5636995 1067566 1174105 510261 627701 1674176 1249533 370584 1814785 512382 405558 1009346 614672 1125749 3169307 5282733 346400 1574358 2217258 320682 4106031 1845948 868219 1448608 2485264 820248 2217594 217445 64822 1833702 1406865 5735983 376944 177803 737969 1834778 1129676 1057080 1820012 1-linolenoylglycerol (18:3) 1292292 1845772 565317 1240257 4920708 978609 744692 1282681 588095 619204 243573 1301961 791790 358359 1214347 524476 1608308 3376548 820407 1163252 3870891 836874 8945305 3373886 1199975 12315286 237782 1068527 25609864 522624 303367 1508796 361933 497633 1308379 3890613 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 42524064 25719976 40772488 48874012 45178496 32981690 94583320 21518308 11280456 38002064 77692928 45437056 41875552 52552380 15063937 41515024 14538714 30683798 22535402 41002256 12675219 19113168 46937992 16037986 30327178 20917008 21861500 36943892 28141590 20555168 25749490 20302252 12534400 24828520 22528282 40165308 22362740 39911528 11256840 11019385 50906872 35312884 29575020 22972760 31226348 21257724 30702634 1-linoleoyl-GPC (18:2) 23310318 4956360 36606316 20491112 21688812 5863928 25056708 14159710 7276538 35355016 21073048 33439860 27454740 14325706 1610150 19638592 845053 86241232 16797608 23619316 2680099 11041395 57872896 4671498 44571364 51850928 14725346 92543784 26039592 78795120 43759756 37541800 37897812 46683848 9375171 2154768 46280316 149416048 38934968 8650945 7033633 27724132 49957376 21975984 12903467 52195016 78484840 1-linoleoyl-GPE (18:2)* 16872892 9921808 31489056 23445012 14369585 12213669 21813250 6174554 8333471 45139680 20901008 22078916 14609839 13415003 1885380 11430857 1701986 13515106 13972496 14992402 5581345 13841830 32328922 7290968 20321144 53191584 16627165 107807616 12041530 42308468 81682352 12342588 17581716 41628396 13140951 2993669 24510464 58410292 70077272 6267070 7567750 30552998 25761272 23467022 18863496 21327040 30119622 1-linoleoyl-GPI (18:2)* 2099840 1670573 7162671 2554973 3640173 3580061 4830066 3731746 623707 5483296 3374566 2006273 5485750 2172017 826998 3003014 5169456 5447283 1046148 4224640 18069710 6018136 7306398 9038819 9209207 1247177 4837070 12628637 3396683 3967963 7789797 5893540 40531744 1714141 3094293 6204173 10684442 3971765 3274010 2962562 9798220 1-linoleoyl-GPS (18:2)* 18889224 4542407 18019052 9101097 5147747 3476109 6213388 3642915 18246084 12295278 6034637 2872109 1303580 1777763 2231875 8855261 5908674 612830 4136147 1760433 3462456 7188109 1522363 4584676 1355357 3885493 2835089 1039977 2317515 4455716 1336300 3879247 3796993 2141853 1772542 2132115 1983737 2840395 1-linoleoylglycerol (18:2) 22976100 46904816 66062232 16654233 24714780 18396422 13390147 233131344 48812216 38413128 24392170 12035998 34569048 41017284 13814348 31912992 24520964 20237430 18494646 43995764 20098616 45100192 108621400 17518750 53522400 96085648 12282085 333699360 28767388 31913020 50703212 59224404 26257884 194502416 4983635 4120406 75450040 41689184 263970752 26461576 4529142 24342222 74556792 8933786 6507670 62060888 108415296 1-methylguanidine 522797 361194 196682 449326 135611 94015 189394 114294 14082143 245088 74079 168166 351064 184336 562614 371325 365388 127079 190693 109200 238831 112497 148833 99963 469002 292710 1749435 477718 314637 261724 240454 580312 276101 260243 259035 313132 792649 182392 247534 246869 156712 181652 327475 181587 208189 1-methylhistamine 5756122 1524579 3355360 716370 2908585 2216319 5351887 6928167 138592 1285532 3586529 2164150 1044573 227738 19137404 1590411 872926 3621287 5092418 9882901 6127400 6114250 5688951 1291844 5802212 12167025 2161192 7238123 11960896 5489004 4406256 6005950 1099124 5183569 8204574 1381277 6181276 2584129 4692095 17326520 8364665 1750419 1-methylhistidine 22775488 34579136 25836876 44017280 38814972 25116470 63467704 49056304 251467584 29359860 22221772 62063980 48526356 110582944 207573600 169752832 111489264 35540656 42685640 23529010 44103944 63044712 23235526 33424212 60676912 74907728 85176544 165778480 71898864 66428208 38159272 53696416 70578768 77967200 53687088 103405464 32839862 42813248 53608696 60538128 98970704 68977424 50023096 122654384 46149756 78313856 118071704 1-methylimidazoleacetate 5141880 16096279 7533813 5577155 4172827 2823287 4107253 25325608 44432752 3976103 2489510 2781388 2828461 33048740 21983824 6884461 3142449 7591996 6071363 3812080 3335550 3417746 26242160 6088798 12339785 18693916 5669525 24485004 5761903 6206722 7201221 2565304 14675366 6139584 6331917 7643260 7179845 4332061 7464680 10819887 5958113 4793228 5433072 4584149 12111514 4176002 6002260 1-methylnicotimide 84409008 36470980 47269336 25188880 40077360 14146300 35989784 34041232 23806334 46975908 45028160 28046156 37426728 19951108 39778968 40715544 40897768 38577152 39789128 47585476 12795791 14361907 21195254 34021828 89433128 48292160 51253816 62059148 73650120 60330768 54849328 83483840 73643712 65203784 52796624 35577976 73326848 77900016 92262376 53711616 30015796 44136392 53011740 92032120 56535768 92694208 50758960 1-myristoylglycerol (14:0) 6004024 7408931 8724475 2955647 4250813 6896201 3577372 14084768 5987657 5377558 5301296 1645113 6074599 6753137 2410956 4491013 3881388 3912308 3947510 7757167 5930386 11015395 35553252 4511067 8781052 31411080 7877521 77551272 6074651 7326780 26665230 8015116 9261594 109947464 2297362 1614329 11893750 8501843 57096352 7142874 1947198 6838141 7128206 3146165 2340854 14447520 21817022 1-oleoyl-2-linoleoyl-glycerol (18:1/18:2) 6954386 80214712 97590400 2504111 13028681 55853692 6584715 258122096 41533352 4657274 21790654 2793502 29692598 42698928 34139088 14346202 52308780 126010408 3743262 55489872 11256713 59748240 74429464 40662992 60445980 42087200 3896908 93944392 21214812 18873882 16385231 29745538 21611016 172123520 874076 6056750 167042000 36406608 92389128 42322472 6824416 17945770 92758040 1027140 3103875 78767592 179806432 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 215355360 166039616 193044912 228115552 248120400 125671248 240339584 133393000 108930944 215827184 313569920 182679200 168260832 237149584 253445536 284485664 198947120 178400688 196383728 49813988 153022352 310781120 107852160 170443968 123953416 129533856 194910928 186571248 119111784 170410944 159874368 70699776 93264120 266799776 190906800 156788720 249323552 191134608 198216928 190806016 203283824 170728896 229096816 142128256 157979024 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 93265080 74448552 110116216 115347704 117851560 105879952 221828912 122184048 26851378 107285680 128215736 83181688 145352384 128855880 166181120 183108288 124134656 143078000 68275648 100934152 14469004 38128048 151221936 30420100 112277104 110694512 117183552 131595384 98227336 103496904 132864664 104073536 50178220 71616784 189564368 135097008 154118176 162776096 93322992 86438824 150153696 91789800 223782256 145401648 132020600 101452072 195496544 1-oleoyl-3-linoleoyl-glycerol (18:1/18:2) 52374292 426909664 726509056 24687180 122840720 415558912 137259136 1046831872 268185616 40403864 243381616 55457664 394486272 294531488 256341808 89037312 406367136 704349888 32387104 509090592 139313904 373286016 397416000 368911584 423373184 227110784 54709132 669120448 182074336 175468832 144470272 224449376 228674528 892647232 23899062 90076416 899481984 283619648 559096768 307316672 107966416 132059408 683476992 16655345 66375476 558358272 1075278208 1-oleoyl-GPC (18:1) 19337282 12490936 24979480 24237048 22341236 16995654 48879120 14667073 78285472 24895548 25905700 50701696 48474656 28658782 5404698 46750080 5847820 77126240 16366654 16944584 15482582 125808248 54594240 10219426 42073892 50544176 25388312 65113372 41348132 70773952 51420048 29341542 46483856 64418844 61121636 19053752 47224700 121865816 33175816 10610960 29009016 113824760 55008260 100331656 44585396 58816224 98866792 1-oleoyl-GPE (18:1) 24459852 47573528 31024342 32070802 16254387 31732964 114909528 41557868 146496976 41714064 71414544 85481360 75717336 203699136 32054710 185602960 27576110 58555796 9898324 22363660 16220400 320246432 49915128 18481332 32015724 41085972 22706818 184689712 94061720 66411400 159246832 22405832 19741850 167594144 53770420 12653968 36135980 84988816 91938928 17350608 27104444 269010400 64570732 118246752 46310528 92349712 147521120 1-oleoyl-GPG (18:1)* 10595994 11836037 20390048 2464304 4442124 8766518 19333560 2445786 2963389 4257046 30151856 2663916 1164206 4952683 4144981 1968650 26042500 3086772 4307584 16699633 14555242 4320821 6133467 19150500 31156856 804720 2044034 12669068 18657048 2162651 14969831 11456003 3472267 519840 4747304 29487010 1-oleoyl-GPS (18:1) 15605636 2763682 5352063 6346226 4685329 2650697 7828234 3543807 17446240 6755906 7242976 3395237 406417 6935289 3069661 2595824 14810223 5282148 2452382 3594772 5854638 4910970 3062951 2810328 975842 4709498 2901883 1232675 2749363 1179918 743550 1970099 3658719 3027201 903089 3089859 2830265 1865876 1-oleoylglycerol (18:1) 199711424 566747968 497293696 19980830 76921008 34810576 35962592 919802496 196322064 86515024 153953568 18091064 113947624 161681120 39322292 83030176 218791376 125312880 49657044 113231992 65344108 146482720 548299712 40545436 289409920 484980896 37942608 1520931840 119252368 101554680 437977984 248978960 144974288 1083350272 123744584 298331904 314542592 1251057536 127266568 17667570 86832440 515127936 254678624 21796060 227808064 593491136 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 23660040 26963588 44787608 30616854 50595036 45194172 129547680 48223312 36258488 24606312 24839524 37281024 42127360 105773312 76203392 144119424 39801988 99256872 23004436 28971210 9216131 93666200 19278536 56770760 58559524 37752232 132226976 119063888 52657320 71192160 54962956 22941656 62431676 121384032 106882696 64886692 111975760 63141868 33943132 118562472 85769792 77281208 59899068 69830184 101718968 155111984 1-palmitoleoyl-2-oleoyl-glycerol (16:1/18:1)* 9324241 871636 21572744 4821988 259786 4662525 9838628 4677814 7498948 2556798 6581694 316692 23370936 4608131 5614453 4961243 4626881 45913076 219738 140041 17167488 7950880 21007080 9074464 629170 365330 17822116 2854669 1-palmitoleoyl-3-oleoyl-glycerol (16:1/18:1)* 1871560 34812804 47240656 7555449 34428652 3058268 61722076 25124332 1816580 5350972 1359912 21325444 19818020 20738968 4678475 43599640 33857596 2368111 29998738 45086256 11491719 33250782 17363496 34036808 31926886 4188782 108448680 19869052 19695996 42672056 24175280 28756564 146573616 10308893 14392940 65880400 62584100 100642392 44355364 21308236 23495708 40934404 3771545 14976669 79264472 108821336 1-palmitoleoyl-GPC (16:1)* 475290 909593 1593170 904637 1181520 1253644 3335180 553672 5612584 958235 984594 4237448 3623227 1734375 703913 2715050 724890 5833025 896845 788180 2693762 6731670 2949990 996624 2894631 3967632 3092273 13469199 3751074 7557139 8097845 2678464 5846246 6959108 11061983 3024836 4605550 19627956 6717262 908723 3168111 9327468 3552441 11565818 6972785 7303008 9476520 1-palmitoleoylglycerol (16:1)* 661749 11275658 6888847 3258884 4908008 37748140 14226421 2479664 1910671 119084 7148029 7755269 2590374 5611821 7613983 2895987 2636261 3864740 16963416 4426597 28709732 8499243 12335807 25748040 3181057 178109856 13567426 9158593 42417104 17792624 11047842 157631552 2119278 19251776 21225140 159727504 14500525 450288 8520682 14213175 4714011 2284744 28370816 46827180 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4) 955243392 731794752 926705792 904444096 860228352 1004267136 886107840 1256007424 752784704 741651712 757219136 849882624 782992128 1030607616 564085888 946003328 541850752 667200640 764234112 826538176 719230976 927880896 969197312 578242176 1187028096 1114012928 879534144 866923840 934100224 809105600 698382592 791401216 825509312 1075135360 664779264 1049634496 880321728 828361152 911456064 451406624 1016872384 927581824 854612032 764000192 625549120 1047236480 1023844480 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 203763904 207017888 192519200 223023584 224887792 212386560 116918584 366170016 121107792 212883664 118862464 129524056 159186144 233091776 184581888 197465152 194847584 236864400 203661312 184518080 198725216 127539080 274955136 109136704 353696352 380294560 327995232 300583488 229885408 295974144 324584224 227499984 324741216 359490752 270214816 292721152 345413152 264256480 324186048 205367056 353964320 215552352 308486080 363595200 207621504 282115744 254027104 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 178125 530371 644363 693976 466586 688535 475137 795423 1514839 199037 327059 325823 424132 788938 419992 393123 700964 359973 434934 316421 1348376 1177407 1302325 501288 1296798 1568955 486825 1125003 604839 579487 1239663 476671 782878 620576 1957675 1393524 941038 841800 941188 502689 1513207 1142290 704858 985729 1223525 530852 601985 1-palmitoyl-2-linolenoyl-GPC (16:0/18:3)* 43288436 29477548 75163952 38892064 28210396 38513512 36160336 66725112 25335352 49258968 17054540 29672528 65022352 66750816 162795696 44026312 87732232 14005944 67105252 5838226 102216368 72810920 15897802 79582880 146177680 54652768 56897320 50734540 50328480 31813672 18434566 30090640 77943776 26506032 27447104 57175048 75385632 77815960 16449148 60451160 76369760 58714920 134940256 118252616 1-palmitoyl-2-linoleoyl-glycerol (16:0/18:2)* 9888697 35939456 74533456 4081143 8276223 64964068 5737212 92174544 35053220 6576822 14450163 2707448 27558892 37417868 13857950 14871070 37312684 73183208 3833000 43372444 10684722 67591120 31244324 24539164 27059970 60379984 5819049 29628710 13155543 26809048 6435486 9506478 19475690 57607560 526494 3471192 54383488 12794925 37156212 12853185 8961504 26422508 34432832 1100250 4296019 53576340 116547400 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 2021852416 1320890624 2059281664 1647517952 1565713024 1672155648 1617311872 2435612672 1708803072 1706469376 1560468992 1530079488 1507556096 2317015040 1931832832 2376669952 1382208256 2092455680 1385755520 1689902464 601491392 1948034816 2111333120 958431488 2380122624 2277683968 1851531904 2068014336 2016501376 1864610560 1813450368 1814773760 1453394048 2135344000 1574689792 1861883008 1918802176 2114790784 1639589248 1084859264 2156185600 2077714944 2283161856 1524188928 1309821568 2190821120 2436223488 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 322482592 273264544 414298240 302906016 263388416 269556704 174285344 370256768 269133568 341308864 207759184 154738608 235571776 268158592 249529920 380895968 207591920 330135200 186007360 246867168 78809520 223257360 321507136 96316336 395298240 517723744 439079936 337443776 244207520 397340512 402518880 192762992 289551936 361631456 325171808 348854432 358782464 395554880 331071168 217664528 388827744 321982432 371103360 383580352 287766112 289307296 358158688 1-palmitoyl-2-linoleoyl-GPG (16:0/18:2) 577167 615917 732778 541595 239470 116779 457263 326507 565654 321733 112505 336380 306348 820378 252230 1448357 208110 725507 505762 449222 139351 666285 383945 347630 1042004 455697 299395 255710 550707 237829 457830 690747 452360 426925 180062 458226 603865 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 357139 973658 1778810 1171784 817665 1156349 1033365 934448 2213072 391457 947814 515979 925704 1194636 727306 1116694 848971 708506 391015 718120 429969 2265191 1313488 649248 1160864 2138936 2203913 1542689 662815 1238210 1574818 505651 1430984 1269094 1744521 1647446 1164270 2101009 2283031 983723 2002730 1905659 1673621 1366386 1706623 980628 1119642 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1270828032 1269776256 1452636544 1472393216 1243707904 1430369536 1163343872 1619799680 2042886400 1200084480 1079523456 1029059136 1437604480 1418015104 1302360192 1736880384 1226462208 1287121024 1150141440 1149302016 1061341888 1781821696 1795003904 761665536 1999687936 1886220032 1573973760 1727817856 1548964352 1508273664 1735818880 1109559552 1489238016 2050603904 2167029760 1870897152 1585909376 1670584960 1252793344 802508800 2245533952 1893311104 1568310912 1966914176 1407004160 1664599936 2099961216 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 125639136 108941040 142944336 151687632 116716464 110876040 76796936 193936096 232996064 90245056 101704608 55282228 101360616 133171104 114499392 195191184 78176544 97513056 72560408 84861256 62497528 162250496 134431296 42184396 180060432 234663712 174203648 177163232 110560896 145497280 211790448 68174560 148218720 155684288 223155552 223584800 192456528 134832928 112463112 78257952 250166880 194968960 131555248 151541584 172760768 151558384 204014288 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 2164829 1518684 2453991 2737469 2342034 2769085 1455545 2132965 1993415 1392887 1923849 2064684 2089879 976336 716724 1055808 1329220 2620564 1601542 1782716 740317 1996622 1102281 2727321 3757458 2274562 2034695 1502394 2465090 1693074 1376537 2462253 1508847 1717455 811004 2345776 2767782 2240660 1098914 3237481 1170678 2017644 3083834 1877233 2336297 3005913 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) 6180363 4491721 4812159 4415303 5305816 4788085 4248877 3389592 6489283 6495291 2130312 4952730 2690854 7179110 7099210 9276436 6391924 6380318 5210352 3499879 7323814 9017711 2541615 1415572 7239437 8713206 5058485 7050271 7781914 4733717 4669150 5316529 6488537 6554207 5624132 4739541 3503082 5577568 3118592 4088420 6649573 9034350 4255948 6041164 4999387 7358096 10146846 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 83136416 210243136 132109800 139177888 153694416 253135008 114185568 179335392 369844384 92345840 72067528 110835832 172887664 204552944 224003376 315274944 278804160 174693936 122061128 94676728 349610272 170735776 295784384 89470928 283391360 442408704 374047328 600924096 405582944 348531584 535590240 188479904 344368448 640204288 777188096 498386240 287298848 458737600 341854208 177107696 535624416 500824000 202869392 603834432 427273024 493693088 480928736 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 34532672 25900902 32969366 31305530 27993956 32184100 36806180 28395866 27229896 24238268 40544624 23259570 35395960 29861120 14868634 28588060 26064498 23576830 21046016 20262006 30886908 40868744 24915300 21780944 28193504 31678086 24040696 24517534 19533102 22119526 23606660 18493138 24897856 26951640 19787196 21606320 17596660 24211608 19277800 12352276 28568742 41067952 20614136 23161570 23361180 24774894 34357316 1-palmitoyl-3-linoleoyl-glycerol (16:0/18:2)* 79009544 310709952 496052512 40251176 109166248 353899200 79191872 542185984 310966464 59593832 146730816 50084792 264647600 197776832 159099392 98908504 289461856 438513472 40472080 348306848 144010000 388517312 258360784 211634688 286657920 361023232 96286304 465890368 175709472 194613776 169503184 137655696 322244576 669681792 32323508 110482456 490977088 268513824 496901920 193373552 142431360 173847376 413019072 28437454 88222920 388475264 695717760 1-palmitoyl-GPC (16:0) 199855552 118593728 212748880 115951592 79396112 138767248 150146512 142171200 663155264 124716456 132841520 239303152 210446400 172562720 37202284 190427632 32278566 287490880 77599016 131074568 203856944 1013962880 144912592 68253080 249898704 276230080 220237456 215089968 202883184 230637632 225503888 125774544 281476224 393247456 214175632 130830264 179612544 398398112 222038736 45588300 155859792 513267424 237239472 317090880 158230960 244077872 312203712 1-palmitoyl-GPE (16:0) 124150680 184287584 124020272 97636128 59547948 84542816 128175440 173660832 760482752 149809440 132616848 170707872 166213664 369479904 95854640 407907232 60510760 133225128 40394512 67997928 117382272 906150784 158937488 59834536 134910592 225154432 100781304 274287936 266136224 231854112 319248384 78195560 124144880 469955040 106629416 55957212 114059096 173475920 227406304 48158884 85757568 618022016 156357392 258573856 101355232 227027312 249873376 1-palmitoyl-GPG (16:0)* 12818335 9601285 2232733 1291990 744478 2994276 1664360 33387988 41328196 5009884 9105857 1822099 2616797 72320456 680653 43925920 4348291 6840699 2485367 716495 1389344 103762656 1664361 445549 4220494 17718132 1062359 28823142 20257584 14346447 34186740 887657 3098343 143763904 568059 346391 1979548 11427306 65531348 1209880 813071 82578016 12057608 10608429 595232 17253680 75961712 1-palmitoyl-GPI (16:0)* 15633487 7300627 9438666 8021686 6091255 3477519 6831359 37119840 10157834 4489798 4360757 5020890 11829186 2367912 21202732 5891605 3892303 7374945 5947530 17825360 37039640 10319239 1773450 10549368 36703872 11991879 9482315 46000740 4751687 17533740 26409820 18740922 12611905 13134357 3953790 19240096 20892188 17174316 17630024 14321406 4058725 1-palmitoyl-GPS (16:0)* 2105170 2879768 1055807 1410510 1443591 246479 1331946 11214118 3799820 1331070 2016784 2211266 3076803 1091687 9989057 3894464 2205633 1730061 1214201 5186369 20535158 1812437 492097 2286733 2928362 2608981 5810081 4730783 2872144 6957353 1362404 3960581 4576716 5483528 2860026 2710274 462228 2797744 7238756 2099817 5354068 2599490 2103987 2468153 1-palmitoylglycerol (16:0) 254667472 294192864 141624192 56652168 215861856 141924816 50979912 767631360 473865216 251649328 56205284 46967480 145743840 214605680 48288304 175895968 88329272 119160336 85697056 103477368 94259328 232925248 683575872 52302372 231153616 933314688 130090792 1585042560 223631232 166753232 550994432 330545312 211909552 1613555456 22731412 16782402 382420896 422259232 1556817792 122075144 25857702 165381200 267434448 43394304 27967500 285054208 424263136 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 520423712 444346720 484673376 545190336 555973760 628533760 683371072 564667008 329862304 392814976 670916736 545578944 483226144 533663712 232905920 560892928 331113248 362057216 485257792 471876096 406994464 517483904 651515328 334403808 521952288 547433344 459795264 555219776 519648672 443679392 384211712 390445632 431369248 495079360 447332288 638353280 332519936 496238464 724464512 229399936 565013120 525002336 409714144 526556544 499449408 652009280 647633280 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 482809184 412172896 449952832 491771264 442414400 524269472 434881824 677834496 305837664 438971392 470571200 385190624 393981760 583687552 381426176 425436800 404389248 531161472 407857632 468099008 278846976 312071136 569689280 251970992 697950400 651960832 527644320 596807744 590891264 504984896 518603840 490324224 528711488 643899392 451567744 490980128 561406976 546525888 614386624 360368096 597620096 494938400 552457024 613482624 446429568 600692096 577227136 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 2082706 4287436 6550749 4543027 5518265 10950430 7046523 8716714 5415271 1769761 4574857 5943800 5746329 9607944 6748564 3053527 6744750 4175592 4505039 4902867 5685075 12371170 6127249 5716351 9494018 8149177 6332409 6745119 5736637 5236994 6755868 5644245 6062173 6405037 5124798 5308108 7663055 5468306 5974869 4413418 7356183 9448339 6594359 6250651 5451856 6678864 5706179 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 75251072 72577320 74955072 47919732 56695420 70958976 72995080 30852756 58322000 65546800 54343760 59440504 39295104 28312824 34818748 52417876 40451944 67186416 78725112 68383520 51834128 31748448 31153320 29930868 105790040 20367796 36843144 33551964 79258104 17498380 43540796 51140524 28624714 24804056 61999884 78393152 23759504 48786584 21027894 29661864 61984092 28650808 33137414 58627472 42896764 43574852 17274500 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 1267637888 768311424 1120658048 990805760 983151040 896375552 1187852672 1059448896 741516544 988371392 1379946496 915267200 865209152 1129314048 878417152 1489672832 836716672 1165719936 858315968 1017709760 269515584 1043295232 1346628608 530104544 1030467584 1016013056 920555136 1204737280 1175338496 991289280 960731392 904414208 747956672 922135936 792939456 977980736 710826112 1168934656 1188857600 584947968 1083013632 1175491200 1131551232 936266624 898380352 1218501248 1269140096 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 437850656 318182368 579201920 382795424 333955392 354668768 339467296 370405856 315290848 394917408 462493696 273062240 302994048 360567744 326484672 445309632 290273792 395225312 234016528 365273408 67873528 279801120 409349664 117032368 407417664 544900800 462472832 463972224 347171456 401697024 450903808 256117248 335676864 413591584 315820480 342544992 319370880 449929952 478002656 233465760 401937760 401091392 403935712 488937856 346778016 366334368 450491936 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 759603 1797555 2833019 2030504 1816242 2500702 2706576 1573830 2229370 882349 3434638 1815697 2178867 2309355 2698166 1662740 1366229 1965776 939826 1873744 468129 3737078 1237423 1276590 1880869 1910133 3369957 1932353 1051476 1565510 2155302 1445784 1482192 2144872 2227703 2454712 1690828 2941634 2914321 1540486 2212279 2482743 2968565 2096586 2137070 2022751 2225535 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) 49352272 34577636 73325488 34510816 37156164 40812692 45396392 23733388 37234220 31831928 43223008 40346280 34954536 39406744 39880844 63981656 28475184 53756804 21981852 31268780 8477115 51389732 15992495 8521540 27595964 46751296 30672884 40895420 32621298 22978302 20915468 20892052 29528566 28537380 18513320 20679590 14460948 31143796 26069112 17676480 23285972 39529436 23404512 25538536 23814940 28394550 44647988 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 241248224 273077248 180063824 326927424 266468000 273559296 286484192 213727264 344920544 255820864 379507328 180720272 294368608 227130752 205521024 464179136 374914912 222354256 261135904 189452896 216249040 403061824 565950144 124647344 277982848 401466080 339472256 528964000 348797312 372705760 497445312 179454608 451395328 410526976 1043435136 475222464 193328096 458564832 461970016 135785920 632241792 585825536 256138128 913267008 564772544 349276544 621711104 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 85777568 72900176 57657676 87176672 59074412 59354296 64874844 108371560 101572960 50322316 121461328 39339084 51926756 92193952 79442336 122268880 61131556 61968860 46506980 57164872 42000980 123105712 89438608 25524932 84029032 148451888 93025920 107573624 79890672 71974936 108149280 51757632 90150032 92739024 108655832 82400184 101695792 83512752 88746432 40216932 93581728 139453904 77625224 101774432 96011248 91789720 169513248 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 1027172 900881 716898 722477 784839 732945 564663 614944 799584 936727 733116 677352 707525 628019 767943 823464 821915 727067 893029 744206 556044 900113 420031 635283 666470 552707 615981 694956 805872 288091 563441 747755 583222 496459 663414 478502 485309 614088 361517 513391 549949 711023 530214 506940 734672 755571 458068 1-stearoyl-GPC (18:0) 113081568 82492672 97909128 67617544 60420704 88170648 126285440 63646560 276859296 68601632 156876048 133072344 116588344 107396944 25126716 197035920 32532272 111245448 55170200 73263400 101258320 663497728 86969704 37605452 76921280 85343184 87445400 88994136 133529160 89931256 95002752 48462828 114133600 108922672 126639056 85786952 40578612 130389136 156232960 26480758 91417856 281080416 75414584 197622528 110124736 94581208 106857288 1-stearoyl-GPE (18:0) 147879552 231074816 132096944 101566264 76502208 115165960 187156288 172848416 642551936 158661856 181959760 175594048 131579488 523130432 107704016 673310592 105105176 129679856 33093756 91743072 69824496 894929536 155286608 59381556 117738040 147475664 91150256 441014880 236184720 199913488 349205216 59563216 63149440 435999296 57427672 47834680 72197928 173356432 405240160 53364280 105176000 495164160 138849600 219360560 76142064 175312272 184086448 1-stearoyl-GPG (18:0) 1378815 4504471 1248632 499688 398097 1576565 666250 3316301 15968938 1727042 3027936 1080995 984987 17111252 405721 12034947 2693143 3050148 268848 286740 358578 25249196 661802 225042 961185 1809578 701424 3556683 8316119 5122424 5261638 435955 1186289 18248512 1688176 11078402 497336 491908 21372330 2151646 4656406 294335 6366170 5819821 1-stearoyl-GPI (18:0) 46259212 30133968 44570448 30171014 30767514 34188112 51294444 68566096 55057656 49419888 41904648 26969080 33874836 61946536 20885164 51133864 21536084 15682204 21070966 27136350 32706180 131136576 32839492 12856714 52834292 56520624 28704100 137318800 43227832 26937104 108129976 24263618 28504628 94059704 28430632 24499684 33115786 31647526 117778640 9214617 37516376 41854408 36930596 34277540 25681382 20125370 26154464 1-stearoyl-GPS (18:0)* 18847232 17323946 19831374 8407995 9438603 10493251 15765720 12691419 71912696 16054676 19316708 14244444 11480177 19853798 7192148 44055272 14387763 10624238 6893788 10273409 15484108 73432768 10979616 3430238 14608300 10214749 9259794 36793920 32350168 7810711 34948128 9422501 8282192 27252546 15702090 9004767 6740012 15552152 25214320 3457165 11298414 27285888 11262211 19743824 10165804 11752438 9910383 10-heptadecenoate (17:1n7) 85931936 84857672 79474000 38127760 78443208 87900824 82448408 405444256 59195816 76600344 59186700 108973376 166286560 283094496 113497608 408033984 100857416 235026880 84636480 90257864 115674208 165922128 221847856 67390048 334297088 406277952 269240352 787959488 511467424 297529760 576137152 447500448 298487808 916396672 191871152 94717232 450870912 569059072 938637120 322072672 187424208 382181600 374804128 284351712 129160952 701083264 573013568 10-nodecenoate (19:1n9) 39801524 32179574 23077062 15886854 21526884 33036672 38298644 543580736 25651140 41259616 24447514 40175184 51694068 193780592 38163948 185949552 24092534 65226624 26415452 28527784 27772966 171398240 103286864 18616994 187352928 222205680 72135168 619989056 179731232 100323040 288365312 154650288 81572608 647249792 47513828 17247244 228711328 165854224 337858016 64838156 55342072 134719216 191361664 89984400 41566908 240724944 245049392 12,13-DiHOME 6334623 4069492 3631167 3307465 4926668 3640708 4595088 20746544 5307206 5256327 3654901 4253985 8766226 4967271 3601433 10730496 2065207 11671701 4086802 3972685 2968166 5682248 6156518 2086302 9499251 10833678 8561656 22671028 24374688 9360687 10744590 12996984 13105974 10974992 4483584 4455264 18560068 15484742 21614052 5486489 6902499 7312823 17096468 6566558 5702348 8153730 10713283 12-hydroxyoleate 11364615 10465441 8028396 10347681 13281922 10458295 12423757 49297380 15950013 14403065 8141377 5482625 26415770 17441410 7801031 21630036 4235153 5983400 14805990 7868182 12611172 11135570 29041694 3583446 20959172 106441952 24840416 91706064 56786100 37263808 60688200 31913186 38781052 51759152 36720528 21040330 52847576 54956684 78783264 17599498 17844904 54748936 50436320 21417836 18773014 22624608 53391552 13-HODE + 9-HODE 112887768 69862736 40802024 43831064 87297496 17569716 39655232 233886928 99326632 102467024 46132924 26309830 113676584 25970762 17053080 65687184 11899415 46282052 74002904 33384926 15925306 36290676 61866864 11271839 84999016 71392176 133241848 163590864 284799424 69521608 106007328 66925404 93614160 103388720 73948480 70448328 227556944 83643824 234259616 43342684 64338128 89263768 156482336 43400188 69716656 35949140 65096816 15-methylpalmitate 23238548 19718512 20805122 11976667 14848523 84586720 44178104 249940256 14845568 25944864 22636436 106185208 75256288 214286736 65906664 179302160 46100924 92045736 19250452 55407312 72113824 303006496 62849816 34736356 225807776 264825920 137448624 638167168 233749136 199263392 364320640 178016144 152896768 618365760 120885712 45500940 255823248 193928432 158625152 130135176 100897576 193769504 171210848 110670736 72494192 273392480 220300976 16-hydroxypalmitate 1038689 1619308 1123001 1179083 1225045 1676617 968359 4522189 2332892 799007 1165823 1008015 1961454 1478845 1515448 2960310 790097 2469863 985778 615661 2009126 1072591 3079278 881866 1904710 5285427 2746419 5028786 4793504 3281908 4072814 2894106 4314593 3281989 3212746 3923198 5209520 3002578 12818335 1807332 1498426 3949611 3820574 3087233 1914341 2411021 2701431 17-methylstearate 2851929 2600226 1728074 1137771 1810542 4349241 3011926 14887123 4417185 2486550 2341646 5583638 4200653 8395514 2575018 7981552 1715149 2747823 1776526 2707267 7492314 11930128 4370698 2024537 6118176 13580451 3269855 26713044 7266339 5262060 10354591 4366530 3615272 24152950 3722922 1682023 7086394 5574296 11500851 2947529 3872625 7154368 6155992 6401856 2103988 7262100 9342822 2'-deoxyadenosine 3'-monophosphate 409859 79272 121458 298583 54595 429964 1537613 26077 212925 178125 487366 203207 162894 957723 319223 814786 264173 234434 30438 208619 2190464 733520 3022529 467413 789049 463323 1014656 375399 875867 566742 1484918 310072 221286 1512566 797283 640426 537177 403649 537580 1357100 820657 474797 1320605 1529167 2'-deoxyadenosine 5'-monophosphate 39795 52791 164897 91893 102847 16894 56636 86209 37761 56389 131929 47756 299158 85510 48374 41272 197279 183218 114242 25605 95418 90036 60217 167374 139372 89391 93884 278330 2'-deoxyguanosine 2875304 1218965 972066 4328215 5934081 136403 52033 44783 760576 1278471 3655266 4973366 2922853 3212502 6101923 1976593 1829736 5365402 2928137 4778828 1599156 1779610 5513155 2746243 2461168 2384604 1707170 2613132 3756096 4543488 3425620 5329022 5019639 2'-deoxyinosine 179074 95324 52467 7031873 91889 45735 97893 3633721 2853317 10694293 14885213 788809 85261 243710 350749 2511428 9943052 11072431 15865728 6337300 8006235 10947719 6262011 3527876 11329157 5734213 10408988 3434467 4847845 11941644 5761862 5112443 5268844 3701605 6797398 8564060 12575718 7392414 14451249 13932796 2'-deoxyuridine 529968 543599 404856 568316 587521 660844 633305 605565 251353 743280 719171 554667 354954 471382 468554 703643 2149582 349371 919905 315764 1450773 167396 1743885 516489 830955 1532674 348443 430102 1031395 358345 245045 408363 434622 561718 404282 663267 842406 225479 411755 522034 692278 513551 599281 1013332 576327 679790 902901 2-aminoadipate 28365188 17927108 316194688 44035800 65803136 17872636 27470036 52238692 213530048 40334012 47583488 22840990 141247376 44048028 45574728 54174272 17157716 166544896 29618900 29038044 20831292 21338288 52076136 22264382 60085144 14621344 38414984 77034664 137020400 130625080 325602208 148996400 123012680 62058272 182923120 227347120 187541808 129121816 78223136 68858392 335497280 77805200 42305176 209675888 105925360 189819392 63112680 2-aminobutyrate 414812768 215135424 348032032 238069344 148130368 137790288 263880816 1126533120 221809696 469006688 273502464 207276400 534021856 1083862528 392257408 458471744 135002016 686108800 267394944 390725920 266121456 113341136 1574298112 121103384 2586640896 125456696 232355664 728063936 636111616 447479936 726732608 794770432 295156736 513272608 696874176 572832896 822811392 875883456 1220663808 296542432 594279744 311900416 417494720 673485568 1099813760 593393024 856021248 2-aminoheptanoate 1411112 1471558 1095671 3652813 3846264 2507808 2506750 5700947 1669425 771993 854491 938725 2813891 1212384 1464290 2139817 1086717 1654166 1645982 1126190 7926640 1872718 2131084 1299434 2002704 1271158 2524231 3623706 4567185 2296715 3426479 1192225 2836451 1744903 2534733 5053058 2880289 1796010 3175484 1656822 3000430 2825880 2755081 2554936 1894916 754435 1495729 2-arachidonoylglycerol (20:4) 1523689 2847899 96146 1231492 1511153 321403 1019629 3223200 629380 3539557 550565 956755 1738655 2139738 1545848 493446 406646 1912173 1001859 707462 1844183 4053352 1676301 2959040 440037 5859731 3051894 883376 3198804 1732942 513019 3416247 203248 675156 841806 4731470 444214 782410 1282001 874427 304103 1301316 1259528 2-hydroxyadipate 207655 790095 98807 1628213 122450 174212 820268 589969 273254 1376102 242098 1083107 648857 1201470 473989 1844315 1324820 599028 885311 1508162 490736 904614 710419 843108 1362420 499590 2-hydroxybutyrate/2-hydroxyisobutyrate 9514740 22059804 21216630 15334113 5661957 8193978 9779869 6015385 27169658 10403948 9339049 6492160 12261475 6580565 4220410 7547754 3636303 5701866 5262569 6189292 4598857 7461330 6865380 13707063 18962732 6761952 2888464 6571693 9669960 3212702 8880359 4325440 3117118 5264011 6464019 6154109 3722476 5181577 6124502 3290069 8284165 5988622 4350856 4219597 5408122 4670660 5641148 2-hydroxyglutarate 12812356 14285741 32587730 12037874 18442892 6957284 4797682 22602480 38071984 2504910 13247857 25226600 7271722 1121033 1909881 2376750 2752682 23483108 10457603 25782916 6092177 709511 18507446 2542233 12045921 65063036 25706046 4363048 24564616 42072784 8910317 24696796 54586908 6464387 41179920 29394336 23959380 26811672 15382597 26109668 8919005 27119040 36890244 41628160 30537764 29220402 54648416 2-hydroxyhippurate (salicylurate) 12252 49047 33841 54853 34322 20568 39334 60605 245674 386360 30432 84293 137871 93019 37905 250803 67225 77300 212490 34119 110547 22194 144810 160770 2-hydroxypalmitate 7694428 5941691 10923892 11522414 7765602 11243954 10549798 15232470 10557636 7477742 9321614 11210323 9224465 8446860 6272637 5343884 6732576 8720174 16407549 12870273 8979951 10156341 9156689 17660654 12800448 39644892 13035740 18254316 17020486 20993720 14469367 9976661 8172932 16720182 9910540 13615399 10819090 10103674 6703532 8092146 2-hydroxyphenylacetate 821621 735006 1003204 879295 675089 484764 682216 335216 1404967 749685 890281 685979 839611 238352 843533 735016 283068 1884136 428396 689408 392970 233828 564670 782967 484341 911900 478574 456091 443935 631755 345953 435960 470226 429453 325847 519742 538016 311117 327995 764769 829128 2-hydroxystearate 5090469 3224987 5637821 3642332 4404315 8609627 9753766 12292125 6479089 6448854 4999728 5583996 5599668 4319383 3443516 5351953 3172966 3014702 3296942 5416294 5788676 3958796 7042393 4938686 4994461 5333459 6390470 41109076 8581606 9514782 60143580 7722822 12496678 12371832 10600393 10456780 13896107 8639903 19915124 3885304 5303120 7105044 10111531 5236984 4638296 1913058 5327809 2-linoleoylglycerol (18:2) 7522222 11731459 20860548 5796105 6711612 6877287 7531437 39813344 15935390 14046027 6431997 4044046 13598389 13533175 16681031 8842567 12267179 4029064 4038115 16400857 6768658 17094498 31455566 7651597 12195003 24759640 4787651 99551424 6870927 9353561 21056662 17981752 8413878 58845908 13859337 12195333 99178992 16094267 2646515 12123751 16732774 3405464 3073994 17267168 27541146 2-methylbutyrylcarnitine (C5) 14413556 21738436 4374671 2767976 2377590 6038755 2864080 8126522 12437343 7416290 7471311 1788917 3775249 30299484 28417442 14950513 34010360 23302938 11358145 5179509 2635615 4745263 16338496 5555683 9852889 44257376 9520096 62701928 34604752 13110619 18399794 24125460 51504696 18736440 12868011 25923338 8668632 37993616 31265578 37112132 19494184 22426434 15074089 26197690 15761531 27034220 17446444 2-methylbutyrylglycine 992207 1244992 673941 544343 728978 1394486 1036234 5700214 1272851 917415 1008244 1419282 1063876 5971189 1405152 1978679 845946 13595798 688675 1530345 211696 1305790 1576603 536719 1550930 1081243 1090484 1032412 1055728 693356 1183116 1101484 341963 788735 703863 1953021 1084479 1304516 1491878 890971 862732 779706 895250 902881 892308 548815 1251722 2-methylcitrate/homocitrate 774772 672148 890371 1034400 684829 1125580 917840 4154845 4143305 512151 554718 1117522 689282 3392787 827876 1440867 568313 1548110 531106 1024511 686232 2538701 1974936 813018 1084064 1620376 1144648 3497889 1141675 1579337 595431 1225016 1989159 1657075 777782 555122 1277655 1155163 1347369 743987 931788 1041711 1738301 1397840 1026967 1443878 1364302 2-methylmalonyl carnitine 861537 1323691 592549 553221 381200 984372 325629 5713109 305782 385696 1078621 3337556 1342969 515582 3671443 279442 3945063 501924 1370077 180431 1954998 6990862 302755 2748311 2406246 521231 3261234 4124389 2236399 2065842 1555839 1097714 531951 1197773 1533294 408930 2544769 4003641 3025193 1839301 2113383 3604990 1134620 1139143 537153 1757617 2-myristoylglycerol (14:0) 4971803 2965801 4729862 1659311 3558422 5392007 3467556 2669764 3243814 4579684 2464969 1841707 3894493 2957204 1750191 933561 3469112 4462337 2412637 6393908 15228427 1286024 3249118 12232041 4708886 20605836 1601124 3207086 12341004 2171282 7495017 33592684 529389 3683829 3076594 18088888 1912267 1583995 4679531 1422081 2938110 1072132 4242723 5824547 2-oleoylglycerol (18:1) 35394464 54823280 93628952 28622580 12666530 19622164 151452608 65383376 33940344 31328952 7698587 44953200 44085276 10605339 20113496 41865916 40029264 12810263 39379020 32508330 51348160 106929272 16271889 69938736 116089552 20530408 413209568 27764472 27222346 155866144 58943712 32376700 275373440 18274076 4759095 100627080 75396536 360204576 24100620 9203926 24514406 86719256 17573184 6720172 52549324 114230904 2-palmitoleoyl-GPC (16:1)* 308541 404516 843498 887613 1370402 543258 1061608 227654 694434 828651 410421 2359899 1961344 308509 168007 688071 221617 1773801 910005 477743 1116410 1652834 372825 1666538 3270924 2375052 10076176 1811156 7062046 8137493 1492445 5966398 4777746 8377774 762164 2704064 13186797 4155713 637090 1773393 2137105 1556004 10270560 6337705 3004857 3462875 2-palmitoleoylglycerol (16:1)* 1909647 1474387 1390870 2934067 4974232 2559115 783262 913480 4432999 1163581 544022 404458 1425575 541658 812683 6075887 5346345 284436 2883957 5659299 46699740 1839683 1548068 11203971 2518705 2478428 45279340 935969 3426861 4447253 38300624 1840030 1570087 2692922 850695 4674563 7075917 2-palmitoyl-GPC (16:0)* 3929097 2904193 4020764 2234543 2257833 2634711 2465654 4730256 9752901 4331077 2390606 4270668 3579676 4753237 1290463 3408525 884875 2943212 1889523 2328652 4126871 15739229 4925877 1064511 4172394 9295461 2988780 17706720 4126324 3956410 10998689 2955017 4504960 15547630 3988677 1949373 4196478 6371514 12348833 1181875 2334738 7538723 4404177 4609700 3493291 3759679 5677743 2-palmitoylglycerol (16:0) 65041504 58063340 29479538 13464499 26605818 45455012 9905063 100426888 84074984 63318064 15542373 15791497 44765152 40962340 13950337 25507418 19250608 70709928 24702264 32547604 31198066 43645328 97025256 13024948 55218288 150970432 37249104 295241856 53499344 36713140 113232952 59945048 41820724 291419808 14651155 60420504 57145932 254733088 21119632 40442128 51895072 16584847 15782224 47351512 58798476 2-phenylglycine 556426 17241096 842030 772503 1394722 698400 792511 705212 2634404 714426 860122 1231489 599650 739278 1147547 917114 755868 835701 548088 1072040 805434 1009234 6367153 890316 760406 525012 475378 658251 771676 776955 835758 574986 175633 1321679 1091930 482264 808860 729970 2-phosphoglycerate 177706 194620 410995 96365 36222 1095446 1321531 5173215 3003595 197071 789820 547876 1546814 523979 3647824 1442069 392626 85465 710580 1281050 3934496 10786150 3592530 5517632 5570229 4233984 2508322 6006292 8906765 1584242 3547403 2803263 9921636 6066696 2896288 2749274 4671799 10182889 8592296 4187287 5496911 1690948 3625107 1791708 4080737 2-piperidinone 1407558 3308426 11722651 2241899 11121283 1701498 3545145 2599743 2506594 1000253 5423520 3849447 10201731 1500106 2398560 2228981 1022694 1673320 1610237 5198938 3856435 3328600 2087380 1083022 2118168 4792838 1480909 3141073 1965110 1582857 2345062 1857728 733959 2031843 1465409 1842885 3077220 2353983 2770835 858873 2563186 2028468 5130399 2604449 2987257 1413553 1478652 2-stearoyl-GPE (18:0)* 12732318 28234944 15119559 8040743 7949594 10914589 11458209 20499698 91911424 15017288 13271387 20465676 13121077 66473312 14928412 75073312 10494608 16204769 3981498 9531403 7210596 129702816 15149706 4599824 12141296 19012176 7338404 45860764 27257980 21668448 28669228 6470790 6575998 57000104 6273617 3952144 8307992 18282720 40313640 5632480 7296235 78538648 13499464 23228292 7337537 16780286 29397300 21-hydroxypregnenolone disulfate 1265015 87710 177001 709938 28533 36653 73609 2290798 63011 28911 330053 45239 39873 3'-dephosphocoenzyme A 289114 328127 152208 311242 235133 654929 119726 641702 197838 584809 670974 309325 150130 701888 316783 164924 111933 324130 210275 202359 510727 213880 325707 3-(4-hydroxyphenyl)lactate 576679 788663 1581232 648020 1109852 566134 514861 931056 1046453 210949 677000 453514 2811951 212852 359954 490255 398861 215003 165087 502398 78552 89691 2684792 342037 1119556 515167 208842 1728409 1917102 209722 3230598 1545395 241883 281704 4827867 2692803 1094009 536519 1977168 560372 268662 96097 1133350 1123192 1032846 672596 625766 3-(cystein-S-yl)acetaminophen* 96914000 6592316 966836 56120088 4651015 122613904 52539852 165166832 18636756 23868158 365361 1606934 159143744 9118012 155738016 245485 3058208 4297078 38728952 45883532 43307968 834268 1555220 23401068 26930310 7940844 15167712 14966920 11019641 9328884 302064 15004287 3-(N-acetyl-L-cystein-S-yl) acetaminophen 1366664 399091 6621411 409023 1702026 456527 305146 72126 1008442 149520 2811600 66239 201286 969357 610863 1289519 78934 143508 62521 784523 381092 756614 93398 243736 3-aminoisobutyrate 179809600 176384448 104538232 103316152 70789024 46295040 41776812 55591140 161112112 136539824 42733024 46339236 72818176 105230032 139465744 40068632 44377864 52850908 77113304 70220360 85494176 112465040 70109440 62602740 77524136 81263624 24386872 58138352 33224362 30297486 48811740 41939020 38104340 19254360 49643532 17387852 18794816 126382528 109517712 71383656 133112304 96161160 56803784 28511310 106180752 30107656 41883212 3-hydroxy-3-methylglutarate 7286103 7215950 5548949 7039526 5723559 2715354 3249666 6353421 16273445 2437748 4353064 3329903 3372892 8120620 911879 1245454 755921 4271495 2397350 4299108 1513026 2211089 4443937 2666364 1670542 5850692 2179803 4545250 1789787 1683430 1785160 4950283 5319662 4201022 1664087 2532989 1619062 1992755 9831310 1542160 3712987 2174967 1717127 2994376 1866533 2263018 6532402 3-hydroxybutyrate (BHBA) 5118492 3455897 13238450 3150161 3863424 8379900 2966918 38354400 33595420 4289284 3895924 4443462 6737812 13338205 3652361 906657 790374 5586333 1792059 2836555 3190362 1704744 3065521 6985823 2702682 8064593 2241417 10114692 1174488 2616783 3431209 1210781 1206245 2903168 1016001 2189418 3020612 3515278 3046467 4343354 5963225 1535035 3781138 2902862 1195500 3554809 2734066 3-hydroxybutyrylcarnitine (1) 25039792 6583468 35914856 7537129 5502961 10428179 6122146 10892521 17842132 3877138 4104697 4107822 18203284 7825699 26452446 6321856 2973144 2828454 6254931 3013720 2365954 3074284 19715408 22517174 8228125 16377719 23978192 80108952 8316576 8523624 47625536 5499616 30457730 18921378 11330254 19332700 10376290 10472639 20199628 27310948 20955250 40296028 6804167 7828607 7239278 13435755 8003911 3-hydroxybutyrylcarnitine (2) 13988436 12151109 18358512 14113542 4480407 30986214 13968836 8360612 23112360 9803371 10974917 7996173 22311454 8681084 25192592 14376067 3526264 4781433 15853821 6216990 11575590 5044098 40557364 44581164 13653210 30916776 48516712 110579720 19020322 17545290 60085424 12042713 83745648 46198984 22213992 37428928 16916472 20693226 52715848 42249612 33761072 116967040 7963424 10459162 12557371 20257648 14013696 3-hydroxyisobutyrate 645197 2618159 1653054 1025752 962887 595378 471776 2284813 389231 994116 344700 1332759 429280 722161 292667 460149 324639 625282 982698 899663 799572 819140 341110 603475 567424 296646 486499 311963 321107 399226 415342 268848 499469 436668 428002 312232 389938 384921 751712 496482 3-hydroxylaurate 1092247 314136 698188 880311 847475 492615 153809 597367 1326379 539002 287644 163503 471894 320425 308535 139602 146279 163584 377365 1422944 167984 282537 1877939 936857 709523 467356 664624 1390484 307547 638068 705414 287980 491881 717703 490008 309043 961709 1069655 343521 757282 1026388 1165334 681974 381854 555123 1296725 890581 3-hydroxyoctanoate 267788 124593 256056 504088 244309 288114 148340 176164 680799 190780 391325 166328 230345 179925 261364 120684 288793 286184 194502 372356 506355 226539 468725 302661 699330 260377 1208512 1345336 196199 1175699 562710 607703 353886 820219 384821 415368 190677 369604 4012401 302487 361587 211096 776028 312302 3-methoxytyramine sulfate 66844 265876 141861 259351 107548 22568 39968 269113 45405 1358057 1195574 447837 27015 36933 5199573 73869 2802112 1560217 96100 2237578 684096 21600 3178112 3430879 1311643 676720 3914052 103357 536331 1185131 1723082 1326990 7334302 1307540 3258775 2336774 3-methoxytyrosine 1315032 1924592 1841607 2898824 1706030 774211 896199 1368176 5872644 979105 696827 925751 829648 926283 446972 825775 544767 465499 1311687 1146067 1084013 1199327 884150 2870455 875630 724176 647943 893059 958748 466211 603344 951573 652292 900755 1021002 560611 750001 1917230 458604 974565 736290 830046 789943 1136478 400845 1107842 3-methyl-2-oxobutyrate 2328851 4348155 1539145 2466687 2013241 3791786 1432618 1863570 1253193 2414049 1392172 1118587 1523126 2171373 915422 2822103 2154343 2344488 1547019 1562167 852922 2871173 3621454 4404368 2069078 2134521 3085702 1947322 1956472 1383311 1143580 1599983 3784792 1597156 3490546 1372143 1423144 1863679 1384781 1961464 4125963 2197861 2747022 2095642 2977550 2560369 3-methyl-2-oxovalerate 4641362 9293660 2637066 4552475 3240478 8618480 2211740 5476919 1437926 3801457 2556517 1501931 2109087 7547679 1488244 7486659 6284170 7924039 2044362 3127864 412035 5707422 12398445 11056955 7975844 6259035 7617169 5992271 8503259 4220520 4389535 6073537 14627480 5226911 10185628 5012824 5896747 5502511 4129850 5529049 13924243 5901363 8886225 5255033 10965410 9291383 3-methyladipoylcarnitine 4955457 9917849 11325122 2805162 1775523 7012322 4244207 11577106 3248204 5035908 1834001 3861718 9529221 12933122 7751333 9935028 1828043 3190951 5281237 7529159 1885570 6089237 16031520 15461490 24818684 6710660 9645322 25218460 19392370 6734260 16152200 17530474 7129886 3382562 10328888 3123277 9321565 4013677 5156477 17260348 13170432 5933753 17920962 6370681 2663425 4529465 8647729 3-methylglutarylcarnitine (2) 3742645 3423836 8594338 4877698 2643204 6982121 11058116 7554254 20254072 712858 7872514 10295713 14158563 14524913 7965454 11890018 8219919 1351172 732049 7984955 1493942 13292662 48624620 7810257 20010480 5355162 16343619 29626650 18625622 36281904 12160407 15000065 14515159 3770056 10093314 7132090 10156865 8029445 21121128 20310872 15422895 13252468 13828088 10759394 8543751 12562018 25976174 3-methylhistidine 3332329 2636175 3876116 2952102 4138497 2128461 315859904 2524553 13287388 2479947 1588761 24486436 17748940 4855800 5288142 9476922 2351305 34517852 3466860 3240677 23647496 3996793 6677623 12384371 3358983 197022480 14401335 6568624 7866519 7518486 3530506 3153479 5535426 14303186 4526020 4911749 2237831 6088387 5111416 2583971 10503214 4357687 3432965 6686261 2458020 3993292 14599665 3-phosphoglycerate 2762757 214842 59317 2875326 619261 141794 3175298 12702610 5581097 2318033 3452484 433283 1062214 2039783 303624 228875 614712 8427495 7850962 748842 2125284 618181 4287985 10628818 5821077 2190749 1978928 2145198 4342350 4-acetamidobutanoate 566293 342278 375678 381240 225530 8673016 265079 167261 230321 283692 162929 276796 225233 272716 410926 528018 300986 273818 229760 174280 206206 321965 4-acetamidophenol 95359392 4217712 1717373 74714224 438143 22083644 58081 45438388 244936 228721 23694960 5315369 8577517 713586 59394 191574 70882896 212990 48810 119197048 132531 271716 842376 3980294 126928 13828441 3880481 419560 1060368 1058447 3013160 3060609 1624845 474747 8699941 4-acetamidophenylglucuronide 1387224 33167 22417 2846991 43460 2534256 608108 2186054 674726 216865 733683 8823105 179250 478805 341318 96843 109381 60429 42330 102515 4-acetaminophen sulfate 3504772 695093 133042 6703343 42143 34786392 2209688 3067219 930974 858413 38426 10914503 103100 9785685 403137 1327745 2454024 892529 174718 77598 1413689 1125029 812705 181373 882265 4-androsten-3beta,17beta-diol disulfate (1) 103281 306013 328200 134518 3170408 82779 78339 135039 87917 128064 80424 61290 78629 110009 4-androsten-3beta,17beta-diol disulfate (2) 2893534 239485 60329 356926 224891 105388 57515 130690 9931703 307631 149386 68226 25485 4-androsten-3beta,17beta-diol monosulfate (1) 149995 8525137 71158 785266 344997 86774 295183 125265 84466 178130 1522016 683903 525229 38641 1495015 160024 1130505 888980 153325 117375 168254 945946 24403 1376376 50875 51614 44794 41176 117153 326431 353619 134595 345517 578398 4-cholesten-3-one 1468923 2924438 935993 1617644 1934257 1952220 2166780 2068043 2163713 1245991 1154705 1767828 3241406 1163978 709731 1826563 771407 2881412 1357764 1149651 6746579 1956985 1696469 2024932 1880054 1449036 3208096 5170650 6293154 2513988 4473415 3638776 4359862 2305473 3800243 3639418 3219022 3412630 2518756 1428390 2515871 2583520 3137429 2500211 3024442 1802849 2627246 4-guanidinobutanoate 3672254 27573860 2304370 4963715 6602571 2037092 6617411 2453116 19918986 6860066 3013821 7525869 9653068 2157487 11021506 5533981 5200411 3204189 2839962 4448061 1659163 2875907 3511967 8923486 3090085 10599376 8859595 3055030 8366080 3709653 2950891 3360988 4079217 35811600 5143721 5011313 2464112 4314732 46782248 2339928 8247287 3610550 3012668 5698020 6591063 6838479 4307814 4-hydroxybenzoate 176348 596329 173956 1001790 100888 91774 106942 160608 847996 183425 83397 116793 280871 64476 108885 342456 179448 277986 176610 159460 209139 237587 131815 284375 187611 187048 218516 307653 4-hydroxybutyrate (GHB) 3422374 3737620 3299962 3876466 3014607 7375448 3722510 3553632 2409160 4897934 5996377 7674805 10545798 5907727 5440784 5426969 5597657 1910556 9843659 1833452 2353496 3869884 3632441 1857286 3637268 2745299 3055389 2646845 3237550 4313588 3595868 2911518 2735032 1206925 2969181 3929325 1783565 4-hydroxyglutamate 2192452 2358824 1422295 1456462 1958222 2028325 1052292 1691965 4022045 1943570 504924 988054 2018674 2430968 777912 954880 5324992 2271703 1248633 1084656 2090258 6662007 1320175 1549823 1425845 1970911 4009231 3936598 5563877 3139979 862676 4772869 4412522 4265815 2988200 3701804 4052767 2427802 1661170 7526792 4597479 3514148 6217522 3152786 1173106 3932808 4-hydroxyhippurate 985448 320762 393823 188435 94794 122948 51092 4306547 165510 118608 402096 82595 76548 159473 429507 4405759 69542 139822 37448 3695085 74108 206574 24837282 167455 521962 5608872 757908 476635 655152 287408 148752 683371 300886 426881 87385 166516 211348 7325453 410342 657477 77604 325683 310614 4-hydroxyphenylpyruvate 19993966 23019716 7810790 6016392 5561096 12881251 1143878 2951230 420589 7984196 1277061 585768 1429026 1501361 258994 5960441 1607660 6377409 1159577 4192255 106333 842876 12442258 121377 7386981 5130733 5091693 7711346 2600692 1908283 3016911 1321213 2197644 16378872 2050095 9957494 4786338 3604792 2873782 6174919 8599877 4457757 5230069 3625552 3008021 20732310 11036183 4-imidazoleacetate 1605477 4204184 1760634 2220315 2930323 3185507 3059805 3548532 3739883 1216705 2703350 1972241 2456722 2693419 2051661 3733007 5297935 47428388 2006417 1569804 1055300 3847138 63821980 1616153 3397951 5864159 2915731 3159081 2387914 2044909 1651821 1554641 1720420 2082975 2475490 4266554 1469827 1936070 2191523 2079930 2750150 4104341 3062240 5138818 2626475 2612331 5125282 4-methyl-2-oxopentanoate 14255300 22888436 10248210 15563206 9257598 20675814 5372526 9610023 3681636 13472669 5183103 3540238 7127570 12287233 2408060 14931364 8969734 14543051 6934113 9527606 934358 11699905 25273276 1036642 22925160 11977219 13585899 17998436 10252428 16453301 9275271 5535163 10050546 23233672 9365710 17321152 8461793 10012616 10515886 6787165 9823823 24664656 9453406 16763226 8930207 18305040 13877744 5,6-DiHETrE 10077351 5908453 2276188 4596567 5909136 4098685 3443897 7585265 11243127 10947479 3415447 3608890 9371156 2641829 1480107 4494239 796397 1781879 5653678 1883234 5041007 8735963 5668702 1284693 4003104 2522653 2947782 3862342 6553986 2589114 2143461 1818340 3081114 2458202 2231517 2181023 3252919 2023933 4387190 1135053 3026590 3942836 1918670 4736901 1817878 1283919 2410278 5-dodecenoate (12:1n7) 11415889 11085398 14051875 8111198 9485205 9123569 2401602 20403036 19387726 6784732 2411144 2044690 5923804 14334013 5260619 3704445 1456105 10789681 3398799 6046315 1263344 12044085 32815312 5707611 11828466 20466528 1442846 22624582 12533304 7202011 9634564 9968114 6435337 41624140 2681153 1355554 17301208 9773752 8426048 6375664 3489207 9010364 15097399 1967944 1330799 23790354 41406276 5-HETE 28422456 13597472 8149317 10174892 20738208 5715683 10930127 9215623 30292308 24136978 10315494 9590171 20003524 5068551 2156678 12572215 2632770 3373954 17901004 4831335 8031692 28193082 6168192 4361016 3900336 9023036 8442115 23221132 6240238 7070771 3555901 5503638 6910411 6773415 8874884 7541785 2934521 9178595 2889026 8936884 10489269 5381357 7526375 4483698 6503856 5-hydroxylysine 14093721 16972508 10370693 7596940 9193115 9131719 5823773 6269386 16971160 8408351 8017817 5005683 6072691 9432933 51781988 7426078 76352520 3236029 8275547 6490624 10683226 9324201 6180023 10316864 6906569 3872696 3724543 3625654 6174832 3368700 1986009 2682142 2088583 3742169 4543417 6219573 2527372 2283516 3847734 4247125 5561710 5183352 5147843 7034011 4961096 2773282 5989175 5-KETE 5468487 3581769 1297287 2940736 4644176 3485271 8382899 9734617 6046276 2593155 4818629 6402720 1357857 4908655 4539411 4740097 798303 13598386 8233709 5453389 6569403 3109242 5522676 6806666 18330684 5597917 5560598 4838517 5551499 3993978 4004619 4763458 7400390 5040155 8786059 805284 6221644 7028564 6281717 8604813 3341648 1822644 3201751 5-methylcytidine 5225664 10838620 4901655 8041095 4333427 6323014 7478403 6842357 11082113 5453632 5196204 5844456 6475898 5839342 2239693 4543154 3577812 6088217 5555822 7275406 5071835 5270158 6062010 4093577 5043267 3355541 4749532 7143209 5315744 6442650 6068562 7203553 6708753 5543732 4383077 9311693 5334029 5028213 5902076 3797220 6634904 6502739 5876199 5615256 3725228 7895460 6411396 5-methylcytosine 688070 1832466 688420 1363280 747898 874915 1065954 1012715 2101766 773799 868736 845990 990253 965022 272338 754464 586422 881725 826702 1202940 842540 755203 655373 650996 726443 419622 671850 1154140 818328 970609 1011808 1248452 1038242 788864 638932 1519050 804671 605033 770547 561229 1120982 991756 687861 845360 602581 1389433 1034376 5-methyltetrahydrofolate (5MeTHF) 21772 31646 72462 73487 58931 286181 112216 111796 200831 202249 78772 156042 357616 69465 59278 433700 66171 81111 101925 21884 191272 89318 5-methylthioadenosine (MTA) 2334128 3962209 2167364 2806419 2475148 1028799 1142941 1045569 1726660 1328331 2524942 1381580 2183937 974752 716744 365220 357088 905717 1192394 1767961 2290290 1147754 1570728 1504712 1257301 892600 506237 720139 707820 1027164 455498 963055 756700 1002014 875998 937631 445371 1181151 960357 1773522 5-methyluridine (ribothymidine) 661342 826298 790248 477544 677619 1054071 1298765 1204032 457493 1138058 869345 647478 387987 1237648 459121 1352049 1336043 1021575 1885538 826425 559992 923152 2018046 213603 1869329 2332608 898390 1612305 1849276 1263365 978612 1310760 688733 1436098 938495 1126971 1288345 607941 1083281 697214 816175 1991665 1322231 2058959 1163712 1788343 2952507 5-oxoproline 59126564 55419560 108768928 85171504 68095248 73056208 67561216 127695048 66349560 67270096 69483248 64435616 115176264 186608864 122869712 90640592 40504544 117277728 47294488 88499552 44397876 62178596 302213024 58829340 340376288 62948652 138975648 156031408 218559936 86745008 147873072 147294528 61242636 66535648 274410176 316756512 242443824 131727344 154063488 124670016 258805696 127885680 154458240 114725120 230378768 84317648 102971096 6-oxopiperidine-2-carboxylic acid 1195108 7358956 9983898 963863 5583357 7988097 3143768 1699119 6747575 1855344 2481784 1098639 671624 1508956 1930992 1144596 1355794 1023145 517335 2158048 1080136 575893 1318969 767909 1055751 777114 1574480 1154581 51867 1705966 2676310 664047 681950 503640 1935858 1827506 1436350 401301 2509686 1596297 2710408 676232 1622573 2533831 6-phosphoglucote 1611480 227377 4089402 345968 216916 283445 1723615 7490652 963782 785479 415416 1208953 1174873 1365795 1071968 6295505 683501 2634203 553287 1959429 408269 3748814 5538369 75080 1761898 8658711 2352298 5266136 5033301 6171695 15153349 2861905 2148406 3550659 4949985 974735 5776985 4922605 11559301 3952625 1738507 2789944 4804079 424901 1738695 3246928 3654217 7-hydroxycholesterol (alpha or beta) 3055981 2304348 2514516 4484167 2860754 2357622 2802827 3259251 3465871 2696425 2373259 5134103 738438 781220 2221015 998039 2756070 2925333 1467729 8106926 1352024 3904562 1902446 3921529 1493317 9931786 4837500 7530143 3643134 5747653 3834873 6674004 1884931 8508916 7899742 4572834 4089970 5810792 2251680 6939154 2791974 4111150 8166290 7216879 995349 2074153 7-methylguanine 432212 1389926 353044 482034 390639 304535 331302 36997 561880 413735 372133 312345 319056 65640 52325 125329 56355 221159 735793 305949 308396 112823 82106 363371 123338 84286 43291 137186 105144 202070 127688 80477 61375 175501 62750 46518 68756 52713 131872 28967 28957 215252 86337 192628 50258 164189 233044 8,9-DiHETrE 12121094 5738845 2181973 4463165 6440240 3425421 3577553 6473710 7875057 9324572 1933952 2366394 4390960 1913960 2217032 3134168 597962 1573275 8544270 2494297 5119573 6451975 11313756 1812580 4739921 2088788 1029732 1690173 1881496 1384427 756093 1307643 2157244 1427444 1714390 1308505 2070274 742621 9777858 522569 1545372 1760083 1493790 2617530 1174634 1257039 1441150 8-hydroxyoctanoate 397692 554334 423447 367633 440291 288225 423862 787509 394690 234281 470620 259611 647495 622793 202594 586626 1157085 431764 403317 438695 106061 666886 330555 807469 1112214 1076216 2198743 1733094 1047314 1269941 1354099 1566204 701263 1170791 812833 1572166 1604944 2020036 605070 1010270 724941 1447055 839136 854505 697200 694689 9,10-DiHOME 9673567 6768075 4264343 3808056 7410662 3009844 4460337 14366049 8374719 8764445 4218924 3253855 9362232 4279603 7049852 9340486 1377013 6202974 6254806 3818255 1532156 4299285 5113972 2038188 5371125 8072914 5018446 9976240 8832476 4366601 5206481 6292299 7379264 2158857 8143360 6465946 21462214 2333562 2530373 3512189 7491857 3503641 2367841 3797253 5203603 acetylcarnitine 386228352 539542976 273000544 313709952 114002448 338558912 304789760 47592972 575406272 183001632 265608672 105471872 504991168 236095600 80613240 244143456 12262445 35071928 271645024 113610368 261670560 111820344 418675328 497112544 55188844 29061744 57466964 1947935232 154600592 21291388 435824160 158344640 131736640 8943188 41278124 113485928 36047032 10847816 76105480 318507360 135843712 145416496 53592928 54694940 49974024 36954696 35483240 acetylphosphate 1765028 950876 922116 424135 545860 1465176 958705 3691752 1849435 992767 431863 785038 843935 1763586 2633444 3723422 2695144 2446082 713254 1120110 921730 3299512 5461927 178698 2054898 5150149 2516085 5429879 3108338 4308296 7422342 4452626 5009437 5424962 3834056 2606523 5819063 3994767 6123978 3737300 2379863 3207220 3126003 404416 1652190 4114711 3182690 aconitate [cis or trans] 171143 259150 143646 177487 135472 141983 120483 3734814 90947 75386 147995 106416 263589 379020 94631 171839 62930 323590 401062 59279 186103 260656 205940 533794 407400 94535 adenine 6201158 5315492 2909038 5051746 7624163 14116337 6197319 7097675 5883290 15137457 3653964 7543040 7067618 8848532 2478708 4434957 6644588 10948945 7933654 10637966 3472915 8833857 8957659 4817136 5157243 12566292 6252145 15759189 4210108 16021288 21652314 13540997 11465766 12280158 6867944 11653104 12716623 13878792 24249252 4248687 5881668 4206595 11710005 9671591 13938965 8581486 13270050 adenosine 4112867 5461499 8977529 8944028 5038306 7013724 6870463 6267620 5669558 4243600 5544507 5266832 7010050 8158472 4847574 9535361 4798980 5100406 3673181 4511812 4358391 7417038 15436349 4138915 7195004 34541192 42636536 16984968 7949651 44275720 42489440 10311754 66332016 45735668 44485584 14932809 18496828 25201474 21986768 6346885 63547864 37690936 11753869 40630520 43553488 17157536 12701636 adenosine 2'-monophosphate (2'-AMP) 2052390 1129104 15625522 4020355 548103 480161 5784808 3805942 4004290 798280 1247189 6645692 4864472 1025344 1139857 4032919 7060379 943128 4347810 4027195 6099951 23119748 795387 3312378 10350644 9088123 14650212 4520393 20964448 23458926 9259787 5125959 9242613 22314614 1559301 9347517 16283893 15825752 13455953 6859721 5613938 11243443 621990 13449667 5566687 13290696 adenosine 3',5'-cyclic monophosphate (cAMP) 63016 91889 52382 32901 87273 102457 86282 119668 54783 111708 26863 77036 63754 54555 61326 103021 40912 64633 79839 79957 40876 49056 96744 48334 80666 54220 125639 150279 adenosine 3',5'-diphosphate 16660 49557 60125 13015 36057 47277 127894 83495 19476 171471 35193 25752 39135 75264 83505 34312 145681 21556 28325 113963 53620 108531 24461 55817 81821 adenosine 3'-monophosphate (3'-AMP) 978266 3247604 3674261 2382406 1171907 3374945 2088669 7841336 5630181 1305546 2445461 1657301 2283891 7549185 4438247 5934490 5011325 2217982 1333443 2364259 3669465 16266313 6011105 1984402 6581111 5008586 6505032 4670740 5465155 6973635 3886240 2449620 2301825 2916832 7724612 3640914 3218375 3712957 5397433 3407751 7250555 11959944 3516816 4186337 2250827 7433024 adenosine 5'-diphosphate (ADP) 89917 82061 203474 214629 174356 222953 229608 546942 675835 222025 401948 98282 533103 393052 453603 304753 332936 326959 180963 195918 715205 adenosine 5'-diphosphoribose (ADP-ribose) 1233192 1150231 1760714 1982236 516624 1682083 1365562 735921 4076935 836688 1786180 2100703 1587483 2116237 452010 286226 354631 563900 602674 2008852 427561 752555 823121 346838 224696 578919 275429 810886 2651557 780300 228878 132658 802050 878872 768360 638364 584496 1145591 adenosine 5'-monophosphate (AMP) 1399698 1673703 2333041 2437831 1645840 3307297 2185209 4906202 2888600 1934313 2677263 2214656 2609424 4419873 2416182 2558596 1579568 9006065 1331409 2124498 476164 4332021 6057695 674114 4117692 4229274 2322575 4526499 2752533 5326473 3474385 1996126 2248630 3728937 4469115 3781374 3382476 4166080 1592265 5152745 3931005 4694359 2885512 2795284 3101994 4221050 adenylosuccite 40413 918108 172073 208644 415878 1241997 1653530 210574 383336 1463886 199035 249424 272891 1047997 522135 24055 614000 54504 adipate 5387645 1870622 1958462 1954410 1494813 12598402 1721471 2386316 3797330 2609244 2157883 2781355 1403903 1497889 746662 1484868 1245981 2431190 2272927 2103626 1457259 974549 2029752 2665992 2412377 1748395 1804898 1872920 2324062 1243764 2581611 3006505 2457232 1535820 2476434 1313863 1754230 1568779 2754959 1447952 2126058 974038 1719678 1641841 1145511 2111073 1955002 adipoylcarnitine 33427382 10113124 31229706 4234030 3312610 6754849 861253 34454460 15625686 4903475 1154571 955619 2622882 119491592 15646352 8531717 1907938 14071657 11544682 5933991 462899 3096679 27774836 9215494 81826360 7012771 8560799 46478468 77683976 3136116 24357452 65660784 16081330 7950824 9400821 6056875 25257528 15945028 16789484 17127228 21692524 7684107 25949464 6646117 2983219 16327933 42409840 adrete (22:4n6) 407823680 243152512 252227264 270178432 252568944 319125408 354321568 563758144 473964896 383961088 250235168 301721792 287693408 575672832 133740352 458918560 191370736 121366776 256248128 182516112 168486528 963037376 585382784 61801112 310345152 666720576 151711552 568410560 319951840 354149440 411301792 318022048 164083040 651801216 143506752 96520520 430580800 268428016 637491072 166081296 164465584 494910688 187628400 226063424 120128160 374140288 549547520 alanine 2403086336 2052388352 2372691712 2248966912 2363312896 2153597952 2290209792 2248221952 1821261056 2294983168 2085472384 2288890880 2466861056 2191021824 1924512896 2305857280 2141771776 2392456448 2256362240 2184492288 1777536640 2150372864 2489616896 1848326784 2492879104 2602556928 2205669888 2300900096 2191913984 2336245504 2379972864 2147431680 2093523840 2597303808 2450490624 2469826816 2210616832 2482663168 2258422528 1914198272 2419821824 2477438720 2243787776 2533037824 2000073088 2545923840 2295494144 alanylleucine 5485155 573736 2246983 852045 1231686 619364 633722 576205 1244659 941849 720995 2821702 918480 3496590 1647614 1145797 507309 145239 1862130 302049 560068 730815 2681899 199093 686427 3599691 783579 1175558 1215270 178876 746837 1524144 2138273 322383 208737 639788 482585 246260 421532 722891 allantoin 8016000 6317100 6751191 6144403 9422920 5402203 11485890 396463 5648749 8191332 7595969 8857106 8881203 438117 294003 535530 3470748 6735264 5051325 3698855 1185436 3746767 2520168 703842 312399 94754 177221 180919 120325 235500 241637 27585 31546 32378 56998 93543 124958 155126 74330 78113 77506 alpha-hydroxyisovalerate 152749 619176 498105 1640246 218312 517066 518810 1346201 279201 711314 233927 111374 188518 96493 322647 382216 778465 655017 648101 191465 897013 279958 599768 104170 alpha-hydroxyisovaleroyl carnitine* 3147078 1262159 3057032 997967 1461081 782880 588789 849104 641500 1340695 976151 587994 1370018 1121514 6565928 1482672 844749 493507 1341628 951214 536508 2442753 548989 2753388 3353071 2542410 12157148 2248170 1313274 3006137 1313122 5320672 1948946 2160275 3225867 3122127 4160654 3069764 6352702 2551820 3687420 3426808 3691476 1838316 4125483 1896310 alpha-ketoglutarate 249810112 180172480 139024400 94779040 73357784 146902896 27509136 22319094 19161064 56010544 25807142 14395373 53987360 29780120 6662492 35764144 10103245 40287640 25826416 143447376 1860278 31731708 29112350 4769311 30298296 17951438 69642800 23124096 15031957 55947668 25690724 29281988 60445792 230949616 10970964 24406872 20291432 41180376 18196656 31709488 22536754 70105264 16062500 9352812 17373192 44599368 23018504 alpha-tocopherol 66116880 5168344 23542718 49381488 3509750 21057380 39881076 13735954 1784428 54601976 59461576 23610672 11832857 60179524 140370656 26485148 30071232 54778220 8539112 85308640 2847106 49312816 42054780 15549218 31575522 57483680 26077176 10184734 15116826 33936272 22139132 42264712 6671278 36011200 27094436 26297748 23451560 26703342 15895004 53539828 35144976 53404452 32674566 21753610 33645392 63181376 80418712 anserine 4629822 386602 1361791 1470338 1194424 391076 16407479 1704858 169739 536824 24808912 346976 303515 450524 407961 154061 901612 3879302 644232 47661264 86920 178993 94136 981505 121512 159979 811506 271399 399598 117858 103378 295135 anthranilate 1361793 17002428 10131077 3966280 3580792 35111844 5801196 15340618 5953256 4301247 3587266 5257692 7041891 10410139 48561344 16193738 3791107 14563558 3237062 2586135 1701641 8071252 5724762 6869382 11946796 2744346 1807251 3769640 6123798 4715593 3650498 4430839 2929354 5526051 3220728 11126238 3514846 3129510 4025950 2988372 8946643 21087212 2454632 12784729 2636995 6798329 10808865 arabitol/xylitol 5346177 1901595 9854750 3116260 7809104 5514730 12855245 7690072 5807792 7089783 7896892 13550876 10739727 6337479 6951570 5100434 2007502 14097994 5021059 8046118 4417794 1972444 21983920 2844865 7522584 7964451 11429689 19388232 4763817 9370073 13756257 8348007 7237424 8122493 10395692 8825878 14715898 11393621 18691932 7907340 13114049 7888941 7204025 8481608 11553006 9682839 12320664 arabote/xylote 67008092 114410408 57916972 42004656 41501476 55268352 61927916 69376552 80184768 79871024 58191324 61568244 46382008 186682656 46149020 37523136 39434320 26500794 61180888 47157916 14262717 86994056 100021336 34603628 163610832 72246656 73346560 76469752 31483750 35289632 30278618 48675700 17368008 38056120 59769944 201022800 27882854 69589448 53727796 40492112 172190832 144181360 39455800 81682032 80332976 60206212 181439968 arachidate (20:0) 116838048 42579684 48784660 47860352 38262120 30205380 72772776 110422216 42910044 104443472 65239736 49244216 40457680 86203864 32725180 63885120 26348908 20943782 61399964 44646352 22555890 70103248 74762560 20054000 74464576 157950112 39024240 167949248 53562016 48248460 151429744 40289772 41285160 125373616 34505856 24767288 52161412 46701352 154303024 29834828 32474146 68669680 62331968 56838316 38234368 49656432 79856888 arachidote (20:4n6) 3585705472 3051030016 1925716992 3005958400 2738066176 2679564544 3311691264 3110081024 4879460352 3812122880 2846473728 3221316608 2728425984 4619892736 1737675264 4829840384 1819020672 1488037376 2845654016 2149739776 2128381312 7168773632 3158583808 1085464576 2562301696 3178984192 1185638528 2673340672 3571376384 2157496576 2596510208 2017970176 1245599616 3157923584 1131336064 1187576960 1903816064 1712868864 2412104704 1242748800 1683126656 4192436480 1701923200 2621359104 1173614848 2502308608 2504035840 arachidonoyl ethanolamide 2499728 3578940 2357615 3469915 2813812 2733848 838025 2796785 1912103 991680 2292847 2213336 2829781 1429895 828414 1011854 939514 1931349 2034323 1721071 1442840 551450 2009044 591492 2214540 1625440 534571 1131888 1862752 1981694 633446 1228925 944605 1974908 742782 899282 1628107 1231868 1133731 760309 1617690 1543208 1450265 1388506 620892 1792666 1331349 arginine 458488256 137203216 288151072 142442336 380732096 19356430 133559024 125731288 112027936 222823344 90449208 137390144 167469024 35490148 36782204 197710864 144543072 420107360 260559312 94629712 130680536 26920824 357587680 78653384 102478920 351168384 70293888 247942096 189247616 187118064 307760672 255176160 217392320 306748992 109905840 31608602 215015504 314530432 353177504 116722760 60158700 57363216 127024320 222169072 125539032 256717040 208582880 argininosuccite 15602705 2930352 12262784 5261942 11502851 1041020 6100528 5863767 2051751 4984384 2815014 8095291 9913013 3297593 776793 8250124 1922542 14762032 3948016 3036843 1933083 1464589 8844486 1721408 5766804 14716236 6750481 11655669 4273239 6043424 13255593 4612265 9079008 8239548 5146017 1477643 6499122 22513584 10586531 6259285 7290577 5122400 6391088 7477931 7777564 12061516 9119062 ascorbate (Vitamin C) 1418704 283988 1012961 881064 538551 535519 928599 1834561 1297955 392541 774170 804467 564467 587424 426750 264842 178039 14213333 414906 969001 195593 367423 9187160 245781 2814870 17288828 1114616 6006527 6765985 4053332 20839716 84676568 2595135 1407136 5262039 4567087 8082024 19964476 35003728 21896484 982549 1911979 2603721 3259698 1688849 11097897 1913983 asparagine 1428988928 734616448 1384736000 1186363520 1716246016 701983808 1544907776 1610872960 749505024 1410445440 1219617024 1412956928 1308776704 1406440960 1262943616 2136613632 1832282624 1511388672 1464896256 1034350464 769447936 1336791168 1811683328 557754624 1695136128 1808480768 1109928448 1809826304 1721397376 1434837632 1344806656 1574190464 1256638720 1883133952 1503879552 1522854528 1272679936 1804369024 1679930240 1017994112 1598881792 1325104128 1420177664 2418085888 1583359104 1806416640 1648207488 aspartate 790652672 464639520 720340736 737039232 969134400 455410112 1059303168 726398272 675809408 1030770176 888708480 1036761920 945567424 1034243136 1571566336 1523835392 1803890048 793618624 1248896256 577850176 560527744 586701056 884463040 557208064 913686464 502117824 456647392 591031488 1290677760 341405824 705495040 875197440 683430848 511188608 1125606784 995651072 842423744 944392384 955731136 571079872 1353849856 387316416 698219520 1812786048 1388595456 1085076096 320015968 azelate (nonedioate) 2538539 2644381 2276480 4500746 1642639 1832197 3009950 6995194 2402205 1211096 1750392 1769767 4184600 1645605 1163418 3608685 1202248 7972648 2018392 2737949 2439424 1243237 4079501 1087071 3922244 5068735 3598181 9426826 5999076 5083858 10003958 4627106 5606530 5010308 4464066 5047171 6917304 6712767 9521113 2021533 3345522 4134110 7786624 3073254 3243157 2648663 4543680 azeloylcarnitine 134360 77518 125090 257350 122080 938207 485105 91966 2272573 352830 949847 503885 1440215 8337617 840637 4661358 958517 171823 340960 188459 2996093 616233 3603023 1639399 922440 156001 1687614 176494 235211 268956 494467 behenoyl sphingomyelin (d18:1/22:0)* 162583456 125201208 169311664 157466928 128417904 129217384 194842832 156169248 107080688 140132432 117296312 134502432 139995056 143793664 61872464 156831600 109253392 116174864 122065536 132000096 65765292 227016176 156412240 58981200 136516880 216883344 130259016 131991328 80985984 153935888 164843488 104604112 122449904 144099184 116005992 108962352 113267776 161845248 97889800 73101472 187212656 172719616 161217264 176190960 120000568 154411680 179920112 benzoate 7272866 3478534 7161564 3125025 13898983 7372079 6613287 7674229 2469866 11241647 5167798 11944568 12103208 25002820 8092697 11466547 13017847 benzoylcarnitine* 680543 1635855 527947 1239186 374730 2851494 4652311 9760942 5928814 3355828 64185 10870594 476421 5523899 6140740 2963148 33032960 27077678 30602118 11279018 10395004 26096446 2139335 6598800 2794126 8384248 13171451 5572730 40954508 3463330 25191714 12395043 25411744 3673197 42699928 4212298 benzyl alcohol glucuronide 85632 69001 34999 43497 278783 199217 46404 831037 986381 1668241 1557882 87099 169333 317507 1216992 2784577 696909 227299 561902 beta-alanine 435835744 323675328 379575360 386404992 379885120 246552592 299551680 138243728 174536048 378066336 258394240 351103296 357131104 172043072 78307552 225394432 99519984 405505600 400299584 329597376 341425024 106087736 150582912 249331552 271551168 154378048 91509272 94866912 163075616 78456288 99079312 151200832 83819520 108922808 112106848 82658272 129552568 187583344 175523776 90582704 143538656 94198304 129902736 122004808 75560992 95222160 112403584 beta-carotene 647620 373341 841464 1004106 59445 791341 994447 127491 748908 679725 257426 486813 251821 1506706 343148 904222 428580 893495 478252 774717 beta-guanidinopropanoate 7949285 9574598 1930255 2708810 451145 45456272 19746420 6527697 17273912 3324351 13189933 2910400 1714565 2548966 1006034 10352024 17623132 13446739 79413736 17215820 6842540 50180336 22142448 9039953 26490056 9136303 13462904 2087539 5299327 13010964 beta-hydroxyisovalerate 1208431 1151520 1500359 3418106 1203204 1466215 3220165 2242990 6276784 1026631 2746412 2857261 3043554 2264046 3866931 3778052 943234 4967493 1360870 2059538 316989 2119960 1847443 921453 3273480 4749454 2118303 2776024 2720748 1953821 2291424 2345162 1118555 3364254 3350412 1141808 1212877 2128140 1926654 557452 2098478 4893698 1836113 4042738 2101562 1714616 2116186 beta-hydroxyisovaleroylcarnitine 6978048 13701841 7150353 7077026 2834262 1608281 5278409 9040828 9520730 3248869 9671504 3311445 7026620 6607855 10927283 22702378 3047345 7934018 6511002 4445066 3208861 16756554 16867352 2764414 13174272 9903508 4057703 29670656 42093816 5557143 5134092 12057345 6322921 4960822 7785677 5468548 7731070 7562628 23259688 7418620 5657369 3586545 11440453 15781710 3510353 8133465 11444388 betaine 4146365440 3638509312 1805538560 1794727424 2188698112 1410151296 1816054016 3440505856 1462236288 2532894976 1594383232 1363949440 1719066624 1895111552 289036544 609504064 559604544 829691520 2031551104 2169608448 1678448000 1153312896 1709867392 1409501184 2141054336 1248053632 647203136 601170048 1369338880 704118976 750384768 966982208 630856192 1533566336 951569856 3111389696 721970624 972266176 965009408 651140480 1166011136 1318247424 732858304 467349344 1820896768 796742464 600391232 betaine aldehyde 1607402 33015176 851629 2811836 1049857 274176960 1556851 6792484 3454853 8876438 2055890 1693592 1505773 199427632 45132308 13549577 108960976 12202389 6075618 1408837 5177196 140146912 13249682 2035400 8380372 6784433 38154788 12970684 13177773 7880127 2082583 1785070 2246664 8081388 3597782 17272216 5823087 7644825 2315321 17895620 61730772 76436688 9000392 5473186 8257370 7270091 9094114 bilirubin (Z,Z) 153108 79617 374032 1232630 548575 626875 107797 969428 1251184 692885 102464 211595 2191513 225253 548500 798673 137290 6020763 1017704 2720779 biliverdin 2312806 1632952 2583955 1860185 1656907 2056061 1337299 94790 3959814 1531947 2070849 673298 1788290 147127 620543 596580 303944 239413 1386615 1042255 284996 211415 669002 856170 227265 397564 306127 1570599 73281 88074 332171 1149352 98938 103581 210666 75716 266152 152236 301449 1151017 58097 359344 504921 biopterin 382170 297350 589629 276398 266440 379405 682642 1387636 1389437 249966 625802 864296 901194 1211892 620937 564868 269036 746403 269230 545519 279912 941767 1545895 283377 1231850 1612800 1339560 961278 591643 1660050 1762776 668225 1287133 862681 2096625 1558615 2017568 1397977 1709660 921680 1750141 889578 1916435 1459996 1379787 1017237 1169956 biotin 145785 98010 70072 327304 93230 427298 480831 183275 153108 125147 172703 95550 394061 68013 101364 603346 86760 220195 890807 192839 477449 968801 837461 196062 483708 794326 402540 289658 406794 805332 338692 200888 284522 201566 471491 473481 632496 758543 621192 butyrylcarnitine 10466813 3071299 4103738 3967688 23213980 1847476 796201 2664345 3063615 3700048 547572 8053284 3073504 14994553 19570294 13211070 26707598 2615123 63430848 986785 1055230 2077380 butyrylglycine 3176108 2662267 1742866 2581138 1885028 1315966 3583900 5099513 6389206 1448634 2355864 2183026 2596690 6396371 6101184 5295921 15172412 11970275 2108507 1563050 1476667 17446152 5556697 1271915 3078690 3845007 3616935 3585138 4876611 3894707 1517279 2274444 3400109 2790188 5780162 4957916 3941584 2655306 4428388 3847625 4034382 3669402 3653988 3403900 3653238 4203349 5769190 C-glycosyltryptophan 5904657 10176725 6050152 4937651 3579062 7994773 4622846 8415775 19064008 4794906 4899554 3878111 4565475 11044204 4293439 7246198 4724882 4519368 5656465 5345704 14209638 4438242 7626880 5076160 8061638 6530806 10495338 9053946 6027450 10278080 5984298 6255862 7429894 8517191 6372028 5902035 6064342 6952636 6793877 8387320 6510622 6582551 8562882 6761623 7570160 cadaverine 2693719 7651812 850042 1561761 1107486 603552 5761870 4345182 506607 2040180 1223987 395519 2604713 17569998 579426 1493009 197312 254248 1333857 1015569 345921 340727 247067 532555 116599 828772 caprate (10:0) 27812766 12818610 12599322 18842240 12849005 6772445 4588750 13142405 8719868 15432109 85476328 3572809 6415907 7694281 4770954 5755140 4326312 7271199 15086692 13388083 3683345 13772698 13038402 9423433 7842142 33058110 3891446 18323200 7954988 13914043 13758523 4813649 10763597 42723632 3821403 2534329 10850936 6576805 11492459 5844419 7763808 15700203 4672337 4827803 4159787 15440522 24938324 carboxyethyl-GABA 642876 2484259 1248229 1310578 1300730 2432514 911663 1077192 8641548 712473 432579 1027656 1609589 2735478 6189424 1154435 991728 1529811 457276 867155 1031827 6129631 1454425 832985 1219075 3381856 3604253 8555492 4553799 12311113 1805034 1177104 12607426 1661332 849317 923604 2194728 1393818 1129835 14901397 2094623 2619297 6354447 2276001 1125674 1730848 2423046 carnitine 3999899136 2950659072 3644356352 2975804416 2604887808 927874496 2653797888 2336867072 1377621120 3391226880 2442355200 2208504320 3525836288 2671402752 3342316800 2146383872 1506634752 2558299392 3677839616 3002629120 1681768064 1263541504 3449602816 2637505280 3412732416 2359943424 2816202752 5600105472 2802984960 2270636800 4615462912 3133439744 4357626880 2673868800 3858559744 2664167680 2883841280 2792634624 3276865024 4114127616 3472015360 3185687808 3714457600 2730982912 3184031232 2640444928 2784662528 carnosine 16908928 2856809 3556031 7858782 4935978 1249225 84192 202012 2803651 1104290 525503 755983 14880932 178429 589206 76802 66012 2405574 849601 482515 159239 453477 20410260 375981 764439 211799 163313 184964 1030038 189128 130588 106603 100626 84324 481693 179374 609350 204823 290695 116530 93757 129015 catechol sulfate 1982215 119732 119806 133192 1077977 475862 77598 38366 124888 63716 65812 41015 31390 52453 27776 78817 83338 38155 22738 53482 28411 47737 chenodeoxycholate 1024253 723223 166472 773198 546442 472589 2221742 458086 1788421 697635 2192085 1408715 35336 188069 492494 194681 92298 679933 3733343 96668 178319 74050 1064191 194612 379778 115410 64743 141792 158081 48890 93440 334798 117467 107309 101588 126638 81408 65597 78054 99294 cholate 2438348 2031622 195538 4086897 4209556 446056 2360805 208965 381980 2502668 1094613 3267025 3768475 170971 576152 227088 190128 1898000 5006501 109526 661485 306953 1602716 639019 201798 58342 180925 117177 71358 199394 46687 166663 39709 77275 276078 353555 343867 155993 219959 133382 187885 175465 128418 94678 41254 cholesterol 223433152 172020992 198595424 216533360 179209600 181163024 206530688 181803248 150610672 192031680 163227008 137456080 153403360 198833424 112819024 242612464 107904264 150897008 184533936 145748480 127509960 331044800 232005840 113818680 193617776 212595088 173636624 190471696 158450784 142950720 131515544 154221568 111208552 238004960 157029408 138271328 112081080 182411600 198003648 88842056 186745536 190213168 144279968 193493200 178035712 176331200 257917392 choline 1627924736 2477218304 1246657024 1519664512 1719897600 3054210048 1722858368 2327666432 2568005376 1654412416 2069006848 1970616576 1519159296 2959692032 2035070208 2467289088 2259027200 2112817024 1665869056 1412380800 2157858048 3452263168 2738701568 1277006720 2406104832 2477957376 2318521344 2105272704 2155145216 2267756032 1396846080 1314947072 1683218816 2231016960 1944278144 2556250880 1810358528 2118672128 1555391744 1668606848 2398515712 2990489856 1720900096 2115784064 1683205632 2279622144 2384249344 choline phosphate 1834506240 708088128 862567296 552502528 447420352 186535184 612810752 418664256 394823168 760838784 737220992 492025472 513046528 517698336 364474112 824012992 225517904 978271680 1293278464 689975232 423475776 553978176 1834136448 251707936 436036736 371513792 412453792 1058760704 1273698944 535360800 440546144 699268288 330020096 934333440 1032746880 1338459264 554195008 2101395072 627252800 354773888 710354752 807315968 525344704 451320736 2220106240 631410304 659778624 cis-urocate 3510135 1722775 1291849 749113 1598468 832159 624498 1310571 2687784 2213557 591824 1917024 10003924 1256924 2386705 2646588 2471568 19684428 6930647 2925012 1876076 554997 15317523 942035 1185210 1065948 674204 762760 4113350 1386268 1166196 2606619 671749 1138421 835732 1513381 679195 945052 992183 4593332 1099172 694904 496811 3310326 1489448 790883 683315 citrate 852026 540530 678810 526187 392606 545499 167049 558115 549084 182572 224624 347575 236342 557866 208859 516205 323825 604076 173352 503847 141186 802651 506626 147365 394254 615614 2005899 732076 638635 966060 429387 530619 862970 627985 502268 331060 342712 582207 454515 588738 532227 2081836 598508 341842 518662 622296 906560 citrulline 22216000 60796508 36936492 40198936 35776920 107298032 52357496 30751166 50805608 29397622 59252380 24500038 43587448 52317184 92963160 39274296 111251000 18100788 20973654 26732372 25056418 69373680 27549012 58837872 29265340 25472088 16307759 16836920 35575720 10707121 11439744 11183996 7399863 13503028 14368689 36864552 13586069 12040020 13667440 36436548 26697904 33295896 28289134 24771082 17344952 15060610 33461766 creatine 4353896448 1491641216 3881882624 2563305984 2505468416 961927552 3309751040 2043057664 3307224576 3938309120 2098605952 2223036672 4548293632 1757398528 1682575744 2833040896 1056791424 2311176192 2627385600 3434361856 1664352512 1172395136 1550532096 3218002176 1774196992 2505877504 2287711488 2555976960 2815146496 2660779264 3432132352 4467353088 2527198720 2996579840 2378838272 2354298880 2396389632 3314818048 4827297280 2891414016 2568775424 1775585536 2980637184 2663226112 4049134592 1961603200 2166949120 creatinine 547102528 333041824 553249984 332082272 307478432 184317632 393690432 158794352 1467247360 455689952 186908144 615071744 621947264 142903776 190859072 404975456 42082804 195205968 244128496 351513952 150268992 213556848 152930256 336079488 153193344 468387328 206778768 668984000 306576992 177330192 295343072 290198720 186888608 319357088 155095936 178490080 131470888 245333440 371888736 208849568 253365552 181515696 169373760 179826064 219765504 183462064 211801024 cystathionine 129972648 87103528 238026656 141857152 347120032 25543962 243271872 184656896 114764400 164535296 66346660 104543824 117048568 129737216 147998288 261995296 64404128 207403792 95289112 109107728 62830892 234481008 171566768 66392900 258477136 141659808 107586632 217823600 250854304 106537048 255474912 202863264 67956272 99353808 203025296 225398656 125160576 251492768 177195152 242077744 423691584 189594080 139382928 231768192 149718992 204619216 183479696 cysteamine 301426 567186 590739 494510 383638 247569 283777 243170 401245 380962 491469 489034 492829 138164 104748 387956 296359 75455 373210 217379 54836 362639 524319 497105 792685 648651 178484 243775 457135 234914 426123 302313 894782 248135 193482 91647 286997 200790 375411 253788 cysteine 79585216 126830688 183528928 78303608 93096832 83877096 182967088 115240792 48575672 132539224 59151748 119674200 89402032 56407828 91755000 79617768 42624488 243487872 53641112 64343336 56148552 77060144 183790496 30936544 141381936 212135360 111866392 240615936 226406512 145549520 484386784 566179456 104220352 109426528 261153440 192935232 207150752 319265344 315757120 320664992 229454240 128441304 127960144 147800976 191614816 183847536 162779664 cysteine s-sulfate 160074 146492 159647 378880 371572 346308 374329 528379 285378 613454 643523 355655 744081 736907 361836 726075 156650 525488 179434 300684 840345 923412 503936 263877 963246 789414 937623 498570 2497742 784251 843138 1337034 462180 210807 2823808 7742396 696931 1125139 863333 640750 1701652 609350 3414814 668244 1945988 558745 1766111 cysteine sulfinic acid 1287946 830679 1316107 806698 1398544 441766 1434895 685693 625101 530037 609705 1485078 948152 406023 1444559 535032 640938 1475355 950865 555327 1086596 485830 1151639 384553 792465 932284 727862 1019381 1333895 1140556 1100412 852626 889275 470974 2101483 1511916 1053279 1602979 1197339 424253 1439322 898047 897325 1040644 1385510 728914 869987 cysteinylglycine 17210184 8488863 9117448 14241654 8317785 3668240 10463026 5735601 2762931 8131318 9386277 11231627 21190436 3838104 2567833 5682496 2084641 19133116 20182194 38729460 15886095 3618345 1978417 5100406 5898810 6790016 7241301 6773314 7070722 17495112 44701656 24915744 29363418 6440454 15156674 8515749 5342327 15293108 14007263 15672932 8162036 3603735 8321478 5373993 13190377 5292153 9962012 cystine 441983296 70962648 475579584 616338688 644817152 166280928 760208384 411587744 304795776 690789824 552148544 488304416 622625280 160287536 463115552 659531968 161999488 324724640 894040832 938022144 203781360 189816400 234297552 517365984 422488032 391672320 496820288 319080448 836615488 390625120 1155408000 1799087744 361160576 320332864 1091052032 949198976 522751392 902701504 952164736 639517248 608296640 252236544 775674432 240690624 1006670336 476093952 323910688 cytidine 2154991 199486 190397 347772 172880 495289 2150557 442427 706677 418865 1666928 3806839 626266 2263311 608744 822815 1223866 1499440 1381545 2310379 2080828 1028615 1019208 2081162 1400426 1722706 1120715 1270705 816010 1000748 825132 1491639 cytidine 3'-monophosphate (3'-CMP) 12319277 7551438 19377260 8008276 1679220 1876111 7412214 9623564 13954724 4102257 2570574 6240273 5957144 3494822 2145477 17906376 1988158 13561799 8921410 8619866 10086900 16790372 24448792 3744156 9307241 19031816 9777247 20168466 14915659 29511854 27353764 14915475 5616324 20500408 18657890 3913608 12615003 12335451 23876016 7443497 7047899 19323532 18550480 3484084 14807603 11306901 25760508 cytidine 5'-diphosphocholine 295217 6045963 2014151 297554 620048 411406 7168136 1348084 427469 2961949 2164385 769665 3329415 1056748 3074626 3791998 3554983 9490165 3011646 513061 3669349 2984633 2241114 564740 604629 285356 1879393 1373418 2759106 2122150 cytidine 5'-monophosphate (5'-CMP) 90594 380020 420870 570520 391315 534305 197202 2962638 183653 284113 213314 227389 1747736 1408068 1030759 4399547 404384 326578 475316 2502740 9962821 396890 2108807 8382045 8705777 6189405 3049792 9953891 8450214 8295337 6208231 5371139 10365427 7572418 6659115 4376197 10529170 6779514 6316121 4161911 3115666 2257416 4722518 4504629 5446444 cytidine-5'-diphosphoethanolamine 1253791 2156752 198858 1572610 2377127 80247 8118606 3006594 1547880 3212868 2614200 1105983 7307670 2619436 3011407 4506405 9121714 10444506 3019734 3273027 4488246 2920314 2868917 478191 1331789 2116762 1135156 1507530 4864523 2445970 cytosine 1190226 6420243 802706 884623 1701402 394315 394093 136271 987182 271987 855137 678834 714644 223790 1218452 180781 528518 455669 206027 159617 422113 2826182 119960 289838 182743 316432 174871 236366 193692 526301 682845 278763 162944 129237 decanoylcarnitine 134350 27158 177694 50496 106996 110504 26288 104028 125654 553842 100839 428246 188082 175163 122073 70157 99500 75382 266372 101262 dehydroascorbate 4587459 1357421 2345027 2610689 1606226 1073731 2403975 1421541 5504094 2794268 3568492 2410551 3101043 1523241 703579 1335759 433463 2544311 2485875 3877624 2650182 1250849 4333219 1138692 4226156 3992858 6870047 3397494 1935750 3319583 1084788 1555016 4180093 3569232 6142246 6019885 2144121 4041381 3197279 1651890 5435768 5677716 3750785 5151577 5922128 4259264 4021707 dehydroisoandrosterone sulfate (DHEA-S) 3442175 420770 119628 55021 167113 37556 32525 757273 615273 86127 573402 47643 960061 90446 50766 39619 125542 129136 25949 480274 91276 100161 221234 133167 25860 122772 377961 deoxycarnitine 283420064 836518080 219021840 105902704 202055792 51438500 84703960 312168992 740792640 240258880 60820716 71856960 100806792 180865344 504864832 364041696 22883618 194261296 221056736 229995792 91071840 85695040 372974496 228901280 220954272 117921656 75654976 362763840 260339664 53503340 137264448 192809664 155649472 89320312 110902080 133700016 175142256 95404976 120931664 126931600 120246760 98808512 123360288 107481928 118748584 94257936 113511008 diglycerol 158244 957098 808275 2025661 869869 220380 200014 4424756 799418 1623233 328327 333517 151676 83258 131661 721274 2101599 181416 736385 699035 69217 272064 124769 76770 138543 674329 252747 dihomo-linoleate (20:2n6) 427572352 476596384 300457280 278608320 326705760 178467408 304152928 1031852672 475696544 501672256 378308192 169256928 295427296 636844736 225652080 759100352 172078480 212396496 248521232 207183584 180360816 860687616 1201516928 87836784 454220672 1271571840 276575072 1773892480 622813376 465650048 926197248 405501472 306841312 1726312192 270319680 129249760 887479040 542553664 219099264 230961312 575578944 484482432 353512608 213225120 700458176 1315801472 dihomo-linolete (20:3n3 or n6) 794545856 825865216 394383456 726668992 508851648 366752992 767030336 474961312 1651603840 955894400 1042147520 502429248 474940224 784216576 229953104 891888576 395904992 302945408 575564992 353439360 344352704 2066929152 1007083904 155665120 362704064 804200256 246278208 880228864 781686272 607396032 685105344 418257760 258371904 923595008 400562176 345773216 593762816 594526208 1920625792 295802912 380110528 1092300544 401085408 560134912 343459488 645110784 909774976 dihydrobiopterin 554847 289665 1156516 441525 312163 391640 1034676 1155516 876561 539721 800133 1218588 1068767 771240 588321 507146 247067 1169733 165257 868183 295986 434837 2131967 241679 1639136 1466606 1302388 677130 439987 1094238 2601289 1086889 773479 496749 1632518 1725818 1932144 1399542 1012382 1715736 1778566 1197972 1951444 1194079 1170873 1204486 1420581 dimethylarginine (SDMA + ADMA) 290579872 398265184 316845504 377508352 465282464 400761504 427783104 792130048 261970160 380528160 311103840 315406336 282436992 916850496 571188032 978311936 588040000 417830464 497101632 278440128 365887200 776147008 833456064 193001184 857001408 849219648 572466560 602231040 855161280 498787104 352434656 443000576 348522880 636640256 606633536 628791744 409901216 478290848 520685952 450032928 875115776 795916864 593585408 1008488512 614503808 573093696 677027072 dimethylglycine 66514984 71127264 54314924 68961888 49545292 26363448 46615516 10741704 24910776 65786996 44140536 32436986 39727300 8644763 1646493 6460679 3895738 29593666 44026484 58232848 27935714 15317043 23258974 47081884 31032706 23684106 11790073 9772622 16311884 7099749 32712826 17760464 8595363 30377700 31295130 58870216 13965225 25476356 12272389 10891203 33993304 30933698 20186808 7018454 32498400 16238070 11429113 docosadienoate (22:2n6) 16759972 12837662 8595448 10273323 13004068 7020513 13169334 34285368 16639989 15808675 15122096 7070359 8149111 25175896 7838431 22821908 5131668 6420389 10733619 6488148 5319132 26934488 51916836 4015453 21736650 66271296 8542984 67184080 26879400 14452702 39662024 17001880 10421238 61188284 10169544 5865223 17451302 13228275 77026728 8414542 6653006 19526910 14452413 13546434 8650789 19419002 31171488 docosahexaenoate (DHA; 22:6n3) 762171200 828948096 478747040 542075328 643948480 704241280 936555904 1011394368 1375530752 685666880 548339648 1003307648 896340992 1398975488 908072768 1651266432 462226432 476410560 708294144 434823680 583666112 2607996416 1305866624 412906368 764008320 594232512 350424128 563107328 955602368 722965376 680593472 686954368 345001152 963518592 365740448 365954336 676435776 674143936 551891584 274526720 700875136 1775544192 695736704 942971264 305736416 750695360 803177280 docosapentaenoate (n3 DPA; 22:5n3) 276130368 131629752 165793920 175674624 133284552 324635424 210022496 366086752 296523872 220136544 254098880 336998560 270108864 442688416 129594352 436533856 103903896 110593528 159503488 175436048 41444340 901111488 350509760 44487328 251694928 391674304 115548024 312937792 310509120 234336352 193154176 175338112 131401184 293714016 83438432 63662128 645650624 221017088 338569920 126910928 143113856 292323712 208153744 161339824 67191936 354354272 413732800 docosapentaenoate (n6 DPA; 22:5n6) 201044272 127500120 74337856 201517776 219630640 211461888 293354528 229888560 396128736 183944944 146298992 139063360 189183936 480832800 82702880 261797072 109269280 57765804 226604896 130360344 160613872 780379328 30550300 85322096 143840512 34465312 159584144 93746120 108271264 156824000 83055416 66684724 191082512 40600040 39263304 84599864 125403952 55517556 82177800 466073472 107879080 124827864 49166316 142816448 201145792 docosatrienoate (22:3n3) 16756274 9246414 4554077 7406369 8806049 4098460 7867983 32202872 18757122 8772007 4479818 4864925 14173309 3768824 20234608 3537111 2671176 3590312 4045817 30726582 40210560 7683524 44524088 4631935 44609764 21691052 10368867 14106985 4633206 41693028 3750734 2982591 6687542 61641328 2907179 5048609 13728337 7229848 5401976 4268246 11027469 18397310 dodecanedioate 650126 266960 374594 285688 155498 1376691 456965 3900795 710449 425364 282351 475822 516229 3164604 1475820 911818 839525 628039 502320 794389 313173 3524401 6487527 596516 1539603 1097183 490158 1311753 1138286 921289 1175465 608948 848974 1363040 1019291 3197840 1964664 930914 788593 806618 1211291 2461767 1696299 359560 248998 1263736 4475714 dopamine sulfate (2) 71950 998141 235169 388502 148598 47172 42950 170042 486042 82455 96517 43886 47641 4710097 6822122 1318283 86066 107541 273444 167483 6304492 66652 87047 10899323 56196 1029997 248724 3854095 1351785 165217 6150193 8230369 4644574 1387485 2781390 181974 1540195 1495960 1915377 3620014 48770 5816234 3511030 4531486 3083085 eicosapentaenoate (EPA; 20:5n3) 172500816 169664496 108956968 138427408 115522096 202292496 181300768 199588928 480592320 127222544 380618496 404583328 156879584 257367248 111925568 505927072 104101344 129668424 128944176 121462304 48939824 637788160 194985488 70962616 216548624 220143168 64381952 173630960 270561952 128754656 151385216 122589576 75132824 312485344 102606760 79684056 172619120 158113856 548228416 80859608 138086704 314458560 99472512 193856352 61922080 216260416 221048160 eicosenoate (20:1) 468349568 363068128 270186688 207063248 233557888 136229488 260329552 1513910784 350305024 447436736 290750528 143784944 247019424 698837248 199003648 569451008 110886152 246304224 247522224 208594896 81448920 677786432 885520960 67488536 697512832 996286592 177065648 1858520832 471941984 346908352 1056051584 423514304 239908016 1677004928 165500592 63449696 845845824 490760480 1037280768 193209392 175897408 399715520 690666496 289479424 165618704 649881536 1057830528 ergothioneine 1262634 24978228 2408029 1210220 6431316 4083354 20301554 13970853 200065 884804 1370647 16833812 28237082 39704288 10407885 82433328 6632980 49749944 8412598 3550550 13322051 24794174 15742400 40470452 36915712 22700956 24260068 105938328 63326720 25528808 104861544 85086832 25086194 83497464 198346192 67088656 63576620 99969400 38415864 103783680 65287692 65217304 149848128 60354168 27247368 39886084 47522476 erucate (22:1n9) 44025336 27487208 30250246 25728600 51994148 22203822 41589996 82680704 45646228 45467380 37696392 23790730 25892792 69617424 19007918 40691568 15063301 14273913 27966772 26899008 7895870 59754792 96357336 10577185 53928420 97609320 18255548 140790016 47760264 40872296 90323856 33952832 22547528 105917488 29950492 15176687 41980456 34864576 77530752 18920378 19931032 48344492 43117340 35704080 27143604 34325020 61667112 erythrote* 34815640 31400382 45934260 49342220 34252928 35262752 41392856 35852160 149835200 46729916 37065616 49304108 61142868 29220172 20514254 45808728 14226099 44745344 41166484 39761296 22633148 28503926 84554232 27307122 68961136 106706688 60664160 71947752 50728356 75673520 75182536 52090344 67627248 44914044 78498608 40874856 66833064 92809712 60336968 44892748 81786376 61975584 84871776 85460528 61147344 62266140 170787008 ethanolamine 186801 2285845 166480 153416 251720 869886 175319 1095346 1756836 198212 157559 400580 267665 1628120 738133 388554 621719 1437929 117513 135403 965314 994387 513271 266428 693565 254778 311598 278987 204351 178118 195190 447723 88185 143956 234578 1231192 1336948 152355 474299 185573 193379 480253 ethylmalote 4905497 2323405 6050721 2750825 6534032 4266924 3352550 1124750 32238400 3077442 12815252 4194590 2587618 1210950 1794619 2417390 823588 15015845 3659786 5623445 3196529 1686827 3783059 3078779 1609625 12178147 12679229 1804417 1098590 8552689 11621904 4822235 12328178 17359244 7066135 5764347 1125147 4809095 11333842 3056104 5777057 7182048 6147433 3876701 4157753 1953373 4498248 flavin adenine dinucleotide (FAD) 589301 585002 681655 1113147 695193 1794036 998688 1980674 1161323 730231 962640 753721 838332 2477144 1354626 1390419 760365 927137 682426 711838 444250 2547665 2103309 471566 1617523 1569611 1285540 1261825 1273352 1857150 929712 919868 833512 1144096 1597953 1672459 1363671 1312817 1213397 813577 1895568 1433022 1694661 1493678 978632 1404850 1411561 flavin mononucleotide (FMN) 158945 131978 167539 126294 75208 205876 87178 143192 78541 142039 86462 61424 103507 271399 70600 130830 63187 263798 89418 110005 55802 207382 264265 38877 140440 198227 105466 187582 132568 264420 115724 112862 124982 232401 141895 120851 162605 199472 113718 64734 138868 129125 221142 78374 42452 169532 247414 formiminoglutamate 1797568 17946620 2019044 4257460 2051965 16444815 3280508 3956172 4847163 2315616 7468531 2956652 4152864 19587880 40752088 14598331 39390548 168386800 24512096 6774839 161872160 4007640 4864993 540446 3799200 1876354 12525895 3983491 1339270 22596248 2132219 2180825 15440257 2605726 1660116 2187476 3932926 20151344 10747807 1586699 74264320 1905524 4028453 802896 fructose 1987334 530547 2644710 1486336 3049296 1456155 5120210 2333823 3125967 2167333 3052311 14191014 3091062 1703233 1438135 3544511 1413631 2702074 2919209 2608645 1755353 1665333 7643419 979470 4299984 2506114 11936209 3959632 2698304 3312507 4475110 4159450 3669346 3372004 5312943 3439870 3562418 4236785 4344556 3937114 5176383 5750471 2932648 6790811 5558830 4206751 5286677 fructose-6-phosphate 222284 376799 49206 71099 92805 1410921 357559 126981 1806842 846577 1431676 331646 1937960 1218604 1040769 2616854 2013950 1175051 883250 813541 53073 1214559 1113597 3628160 732093 36031 587757 287285 434010 676958 1562273 509868 fumarate 93750136 61074808 123389408 109282976 79729504 88138640 85063168 66423672 69311568 75952296 101594896 86710600 117032944 83435368 64365580 88988736 42691268 86611472 68983832 83938560 73265840 82996080 107539336 58871244 99103056 115833144 137108800 69666720 76126328 86281392 85017600 65869032 99705040 67863296 113437584 109544304 107735560 105886320 81505320 78274496 156120192 156090672 111838632 108837960 110951424 135421056 88157224 furosemide 1325735 60194 35379 5620234 309004 579167 2197342 6675909 64159 3610542 846082 155100 1455920 632622 1720582 1597181 420478 galactote 30823044 5175822 6789124 8940652 3851433 3464436 4049458 1999012 14625141 5300953 2158180 3693634 13799306 24665172 1169563 9296870 2017480 2329478 11599314 7943954 1182862 4168264 3162410 4032491 2365273 4136352 8543066 7911714 10096276 23089982 15285280 12795396 12973076 2459545 11964058 1953588 17048594 galactose 1-phosphate 47268 67240 134177 336022 89840 630922 379211 3200232 2568603 1345350 1643752 1210652 1931369 1835488 1555019 692562 614696 2725772 4209501 2333403 3985601 673714 2540206 2154067 1248692 3239970 2661959 4452076 gamma-aminobutyrate (GABA) 195103920 329367968 328308032 727301440 350621152 1001781568 847953600 1086334720 581054592 425420800 992556736 718686976 708831744 1153422208 866245504 1064555840 854024448 745320704 602275008 514288192 1391205376 923474432 361809120 1274788224 1232004736 1199267712 1035466304 935244544 1068933440 590292800 661072896 768729536 680366464 939476352 995162112 820410496 833049664 773903232 977038336 1077128064 1416853248 1338441728 1191492480 1039680256 1230951936 1198737024 gamma-carboxyglutamate 13320590 16229324 13871572 13990519 11862515 15052855 11496447 12067400 25005840 10931092 7706297 11314453 8777018 12711312 3715651 10347669 4329755 11315643 12439128 11329828 7807946 10402447 22217384 8156668 15842437 14243455 13919220 15018093 11021037 12626400 10623080 14021526 12820056 14457378 13865874 9157400 9319583 10260375 15335132 10131837 12338632 12754618 9401223 13661760 10271926 16922556 10372656 gamma-glutamyl-2-aminobutyrate 1269453 1159274 1261533 1796583 2094645 1446120 2092241 4561164 687492 1907561 2064427 1777831 1706040 4632894 2829648 5515921 3383783 3092507 2029660 1763675 1629194 4141093 5621126 787058 6611264 4780545 2187966 3556102 4205443 2693940 1507832 2372190 1722058 3055144 2958687 3910490 2051319 2490084 3757618 2233087 4953594 2898694 2585536 5257933 3532468 2716455 3537368 gamma-glutamyl-epsilon-lysine 5479734 13407443 5647577 12315748 14736354 16408997 17524522 7580407 11583663 14506409 26905760 24176638 14680381 9630991 35115368 15431212 106613344 3779370 15454846 9275113 3007886 24285572 2491409 7213121 9148387 23980136 7628459 12168793 22610136 10130750 7698332 9052085 4771650 13908895 11452722 11605189 5795579 10474071 7536274 14981460 14341850 9258277 8435988 45446772 13793951 8496714 27030220 gamma-glutamylalanine 603487 343128 762407 657543 1185172 787925 1199751 1853780 560463 648867 734712 1197770 1166887 1008403 1635062 1536376 2373088 2324026 605346 6117128 259026 735491 1594678 193591 2831629 1443082 1222749 1014103 2368417 1938644 1223495 2025774 1074218 1422351 2077877 2688494 1359871 2310747 2114173 808855 2336921 1341084 726621 2546991 1981196 2164493 1131851 gamma-glutamylglutamate 470159 620760 174404 621599 261641 1158299 163563 279254 232769 473384 567761 1017107 902512 1023715 781802 1611570 262967 5759479 294428 160019 1228516 168189 1637338 432909 708162 1426700 2280760 1054490 1384679 3298437 635005 495893 1579529 1424062 1358157 2011862 2523682 1108426 2963446 248830 640877 2306378 2025237 1180043 908828 gamma-glutamylglutamine 692752 268704 872509 556797 1055865 185648 1175231 1655358 253886 625875 593377 878478 1390695 1198569 1630222 1992927 2202347 1682334 612080 7307774 232609 833879 2433461 264578 3384499 1427977 1789090 1859231 4147295 2014065 2327767 3006579 1888506 1440460 3497243 4311833 1675186 3752506 2506057 1416363 3786429 1903917 1279125 3303360 3361858 1993661 1385139 gamma-glutamylglycine 7311804 3378089 7969754 8317820 6511027 3155800 5765770 5117673 3345707 7354314 6694818 4411386 14033222 3563948 2707297 4087340 3579931 6751721 4546129 12208019 2011211 2835863 4172126 2595886 7085026 5727444 6900051 6961345 6400163 7783671 12751993 10014020 4129994 5479828 9732783 8873298 9037034 9762914 8459345 5445975 8444935 4049653 9045626 5717498 7484536 6053239 7669024 gamma-glutamylhistidine 8416903 5081277 10893322 11301095 11798718 5144022 11396471 9336234 6899935 8003621 10279082 7963673 13876040 7741339 2596264 10390361 3449341 687437376 6495356 11333132 5139323 7447529 632854528 6545599 13211906 9905009 15007206 25704720 8289672 9396650 20654270 16996044 7271927 8776501 18883508 17135378 12028782 14030119 23330030 10867344 22993678 9142503 9696992 10393680 20514390 12521124 16369135 gamma-glutamylisoleucine* 6489166 3343932 6651032 6391408 9167112 2728225 6275782 10199639 4659815 6586208 8255009 6413911 7309646 7283180 6610305 10806128 6363557 10099034 5391559 4770105 3075495 4949172 9224545 2476657 13819522 8288510 5010783 8844137 14081368 7825508 7184568 11134920 4160664 6833567 10327047 16385389 6233608 11153587 15521477 5014811 11850848 6148270 6420018 13301372 11233662 7870704 6396069 gamma-glutamylleucine 14566242 6713549 11943881 15529662 16522094 5896048 12199962 12162590 7783328 16191174 14622391 11113695 16767091 11578675 8420796 13183156 11797443 11827112 13466238 12412091 4991004 8702959 8643358 4910877 14145428 12960133 10514576 14378437 15173168 15799562 16447887 16273402 10467677 12208210 17044646 21490896 12107159 17459526 17642298 9542941 19266176 11023736 13393628 19615656 16935634 12189458 14657363 gamma-glutamylmethionine 724486 224296 658852 218647 787525 181496 1041392 1790927 151922 561489 315241 743803 605220 1251259 1601823 2306570 2087708 2459556 478932 2076944 329082 730847 889693 2261316 1325040 925626 2171804 2858649 1249221 2255633 2579925 1004296 1484374 1744251 2112931 1236291 2854752 3254840 1308983 2356073 1289481 886941 3121143 2203105 2777390 1452219 gamma-glutamylphenylalanine 3079803 2562305 3569480 4114476 5061406 2125492 4672138 4867082 4644524 3478114 5086281 3728259 4478323 3727242 3279780 5448692 3167962 3540853 3532605 3553793 1499804 3634709 2043279 1510473 5784080 3547347 2874997 4466182 6066812 4678548 3964428 5133571 2458559 3880316 4711666 6873335 3898824 5055353 5887584 3009481 5977175 3652183 3779997 4879790 5720455 3512151 3594889 gamma-glutamylthreonine* 1804483 879087 1773824 1454518 2297027 571349 2838014 6428531 545496 2070654 2501189 1650454 2225577 2541444 1134022 4863113 1282711 2975895 2018016 1827232 1025350 1892473 30370736 478579 8971716 2533811 2492378 8266944 5323709 3164405 7237668 8374941 2266579 3863185 8934002 9353740 9580600 9109098 31109136 2662365 5835925 2151162 3630313 17233732 12467194 9373771 5140605 gamma-glutamyltyrosine 363937 599017 859805 275562 885389 920126 866576 443218 1306655 1655829 725622 522564 547920 679763 1040700 1002183 1325502 1266275 935721 1399418 1284338 2007837 619919 578426 509073 2637455 2467024 1032831 1379482 786660 1226045 3100155 1137041 1983421 831372 1640577 903181 2363829 gamma-glutamylvaline 15426063 8160152 17459998 16292732 18321448 7132838 15799487 19139892 11835058 16229590 19827366 12468182 19200292 22160716 11668614 20132514 15363059 1815238 13508072 10702399 7618970 12857720 4811434 24704140 16097821 11654703 22239984 21835676 15213771 14928187 20898972 9369340 14870057 22962740 32366932 14415793 19396406 20934452 11132854 25375464 13946558 13264441 27313600 22572912 15470549 22680720 gamma-tocopherol/beta-tocopherol 3264214 3859214 1995308 3657590 1782037 4202339 9965985 1307446 384985 5029138 2952960 9602643 3217902 5761758 1583744 4808879 4362761 7518778 1927020 5184121 879070 1961064 842667 2838904 993150 7144051 4049173 2175887 743086 5605084 1533481 2658039 840933 10203656 1122363 1262883 2966468 3701042 1634767 5705793 8130276 5266348 2937043 2695980 3342044 4078134 3971829 glucarate (saccharate) 2302926 11210097 4063538 114257 3069152 202962 1047785 819125 2258513 2374125 250313 989414 2865655 2073633 2882236 746759 700507 2970515 1221820 1752065 82335344 1072406 1774371 4900269 2744576 5150212 14782207 1452386 2184139 glucote 196925520 5473888 310278048 117378144 218427664 95147168 404241632 106274144 15362955 188678576 252490480 392554112 443874880 55396228 50318696 142991920 61127320 37143416 125385832 268660096 20034300 91023456 22234408 32311312 56720348 61830948 132787368 32427084 134687376 43524876 88635088 48887132 48208144 54486328 53126168 118149840 46339208 50942456 58670688 32400754 75380216 107637720 133985504 135815248 65418112 53760528 94890832 glucosamine-6-phosphate 1115541 118176 293475 107332 1697180 330469 575905 61512 121371 379094 32943 2391991 1633162 265750 145458 69411 318848 3479959 1332032 4757894 390859 4325911 2631387 2651789 5168638 5526862 3107274 4109095 436855 368153 3014030 3640308 5918190 1457324 68275 829552 1786411 223157 372644 3944489 2566875 glucose 673616128 18396682 667635712 337364992 659308032 183866336 1356611200 531389216 36332668 884053184 950687232 1279780992 1021893248 183776144 463292992 775115520 184165680 642386688 1136924160 1065668992 430837856 179177776 663483456 196292768 1092103936 707081600 1106437120 614149440 459764320 512665248 994577088 618722816 538660160 768990144 764750400 726338752 466781984 1020103872 721011712 657492160 1110459776 764330880 785127680 698171584 538132096 723815232 543353536 glucose 6-phosphate 608436 74715 27700 31208 56228 1345750 156366 280773 52938 428383 2092263 820956 117982 96828 48817 297767 2090568 1005316 2312191 326876 3046345 1621696 1856853 4407414 3765158 2013735 2915656 323211 194171 2017537 2510598 5308824 1146553 99072 613519 1108395 212855 219373 2702523 2366266 glucurote 1209184 1020394 757743 1356566 1007248 1373611 1170929 8912063 2439015 1011899 1161355 1462453 555674 4948710 11991037 3057806 2353864 2286595 1406029 1277348 1226951 930872 11486556 1219792 1734163 2632900 17119696 13556236 9636868 4381357 12263866 5373485 5517777 3212242 15329591 16890920 24035456 3903479 1275023 10285708 2437777 2980178 5950218 13486618 21124668 5385777 11736606 glucurote 1-phosphate* 43926 47103 77120 774435 23958 49848 26995 163608 766314 121257 78821 22448 74816 107490 201630 769396 82008 141068 967558 7928882 925211 391534 4518360 566882 144666 104395 1752497 300592 3282036 242582 569031 1303389 278249 165515 600978 59155 2254907 96084 691091 glutamate 4985716736 3037925376 6044450304 4139361536 5336360448 1643247488 4483149312 5920704512 4577295360 4794248192 4528222720 4267312640 5971430912 5576207360 4714009088 5947322880 4395245568 7096826880 4435574784 4305773568 4470224896 2725959680 6860659200 3458083072 7987479552 5377054720 5685692416 7440341504 9546710016 5796264960 7952444928 10113215488 5434158592 5301315584 8860808192 8844403712 7146446336 8937537536 9671386112 5319559680 9529452544 4820489216 5621917184 8730470400 9426745344 7213710336 5906679296 glutamate, gamma-methyl ester 12228546 7118957 14703273 6195840 8426306 2465682 8983664 22792388 6101424 7104333 7188022 7527796 9369969 7567466 4780391 15412151 6570006 42314768 5055762 6588767 7930966 6945237 37971816 4458730 17983060 14510226 8888418 21247376 18221156 17315552 15026057 22947580 14721074 17640592 11940064 9887216 18939584 21708804 42852604 8541904 11940547 13235515 8986744 28636898 12129312 24859632 13817627 glutamine 2815941888 1559493376 2741942784 2359533568 2814495744 1148176384 2719195392 3070973696 1394756480 2472289280 2160424704 2436973312 3284454912 2446756608 2209986560 3863515136 2762270720 2716841472 2311948544 2368218624 1053823680 2352284928 4731385344 1504507008 4235310592 4016459520 4090704128 3515509760 4698618368 3704268800 4005131264 3731941888 3995373312 4267461120 4995944960 4549708800 3569801216 4661408768 3612891136 2545269248 4015998976 3906676480 3391698688 5027907072 4456306176 3812253952 3218949632 glutarate (pentanedioate) 1008059 1156509 3330820 2623808 1462055 2963957 2606691 3801969 2955377 1269275 1803353 1670094 3842260 1491776 2276667 2734570 403520 2387108 826000 1673568 6813077 1988327 2208059 1224380 2291929 4082461 4798037 4247475 3663664 2590981 10833932 3617213 4074508 4781701 5704428 5763445 5369103 3017763 6525525 1446885 7439492 2899387 4132401 3653225 4876491 2699772 2264939 glutarylcarnitine (C5) 10905189 16085318 13154149 11570950 5112091 10475040 17719050 4306009 7431923 7351597 9833590 7595314 22983706 11460180 6024722 33303710 4777040 7477356 13773209 10587052 3313482 10858381 24899668 4464726 12667242 9260572 7146325 33967260 31711942 11474561 30343784 19624364 17773940 13252370 28872354 11541927 13577853 11157498 29325968 17036734 21829844 10828565 16434259 14443661 16892696 9455872 20576598 glutathione, reduced (GSH) 754770 653400 304305 2079101 221241 457449 661497 559845 1833584 908307 938094 6227131 7528826 10921376 4301951 392800 4453596 1942286 3510652 835145 1965181 546168 10341637 glycerate 79017352 35978600 63540544 59197224 59192252 37015076 60424688 93610048 94627744 48783496 63758564 67697728 67457864 79382096 42544228 85866056 104482968 118397240 51187276 58254480 56768064 73208744 254271104 30881806 145144096 162232160 88605504 162302736 115100760 136126976 185378768 114245992 133064704 149369968 153536736 169035728 155931840 134290592 195309888 91481128 132579176 111355464 140050480 188639040 121809112 129329464 139465616 glycerol 43106840 31077758 44370312 28661790 32187108 34499720 31948198 79315608 25611936 37548792 28026808 33039668 43346048 51595992 16109804 52243536 15349094 80033920 32164650 33508506 17913542 30255640 77746096 15412669 56052484 68337192 24065092 65808160 39611808 35644520 40607336 44131272 30398688 84912848 18768842 14362287 55006848 49444436 82048136 37510632 28087334 41890536 54255656 26192420 16139605 58071928 66521436 glycerol 2-phosphate 99193 229296 84283 61568 61435 140856 60512 99363 30497 278662 161463 179590 77444 241254 207347 54431 73364 119239 25091 65077 35891 76029 71061 84643 107402 120094 67804 243751 62796 59088 93278 73806 glycerol 3-phosphate 301245 1833689 2207789 241459 213365 27834584 10685135 73588224 800631 1005600 596093 5547351 5251320 76837232 46414084 58554208 46896864 2544091 265792 3625986 595451 130852312 126924024 358768 37656916 61133176 37928828 94731840 15804410 62395736 95716296 25427456 39816624 67252704 35767336 46733148 71653288 46022824 96062232 69928488 27015872 97027336 40116396 1394293 21624844 55150532 72534832 glycerophosphoethanolamine 59783400 16690912 85110984 34914612 49446456 48554144 56452000 78495968 74979488 43984904 51118732 66358224 63364000 63549944 10575490 101090272 19754376 24383434 30378334 66411308 38484560 84118048 83880872 23285816 100628592 81647720 67597192 79718240 32125472 78348952 95594992 57477876 96529640 103141056 50091208 53212984 65135704 56276124 88919720 64758676 32924578 48460036 56496604 98424752 39761684 79156592 85170464 glycerophosphoglycerol 8802973 6473981 7035739 5498914 8108993 7098104 6596004 4943240 5007303 9744239 4808051 8526314 7409138 8082339 2428795 6191001 3709071 3854070 7898348 5985503 4699349 18427916 5273818 3475444 5068735 10159785 6926074 4797525 3704591 6194538 6306775 3718082 8202471 9222835 3892946 3175871 3661598 5147698 11532830 3473078 5687574 6959584 2951308 7854155 4468547 3190395 8915831 glycerophosphoinositol* 2777497 947721 850001 605608 1978505 2897047 1359184 4539851 3816451 2263928 1265565 944061 2812979 2186557 2575084 7146287 1383643 1736276 1228491 2215849 1353594 2912195 1626492 430977 6033751 4139487 4036732 1474807 2845232 2765682 2853588 2320291 7252860 5147705 4627796 5341073 2039108 5515686 4756489 3585435 2731313 4206599 1790409 7210178 4885662 2010106 3557711 glycerophosphorylcholine (GPC) 3670121984 1202149632 4972228608 2983578112 3879359488 3348697344 5240874496 5818609152 3335319296 3269000192 4548243456 5008985088 5522153472 2956879104 1241336064 4855355392 1829323392 2638020608 2732548352 4373649920 2763281152 4299480064 5188367872 1980545920 5486373888 5323820544 5308447232 4399677952 2742597888 5646108672 5581384704 4170847744 6678691328 5995394560 2795432192 2461315584 4552785408 3710103808 5096604672 4161007360 2394423552 2993107200 4757104128 5081037312 2328755200 6143358464 3898293760 glycine 741044992 640975360 871405568 802159360 892151424 668346176 975428480 1034654912 613738496 849759168 816245824 807662656 964091200 891556032 930039424 993849408 983605888 832785984 804731648 795212992 693805824 837988352 1101924480 560224576 1421834752 912642944 758951424 932401408 1128766336 730552000 1002984128 1206700160 580892352 785792640 1205922048 1214982272 769373824 1054854336 1137515776 715736320 1086210304 807464256 926006528 977287488 1066579200 762400320 806580736 glycochenodeoxycholate 28686580 4928173 7889185 18279888 43292828 14639510 93185360 23299076 3675393 49155136 50629284 63855760 51012852 15723492 16705092 37305840 46780820 10520111 23164052 195053904 3546460 14275172 45078888 66259488 53636920 40234096 23609032 89997736 17228204 17764720 85396600 4049733 3028285 70821768 28000520 36105056 86406272 177835888 51614192 41690104 26965532 29496748 46698916 18669560 63363364 38465512 8768375 glycochenodeoxycholate sulfate 297846 55711 414323 1035104 482286 592564 1018699 321461 903023 350483 651342 498023 206134 1006031 482492 206744 457473 4994372 19238 303608 932297 381505 519530 281910 1570005 269664 334567 617456 78507 137240 2023317 242820 610129 517163 1052706 365089 346877 217265 435216 1348455 344233 186557 glycocholate 21355892 14244225 4655946 29765766 103289528 7062842 44206252 18176380 5483810 16496125 31354378 34260232 54361200 9126389 8698873 29269046 22396492 7798867 25495828 99360512 4260934 20883588 47177280 48552904 69864408 11277880 6441452 34309800 18895964 12684637 42037408 8478707 556474 57036760 10945076 33530716 71006952 85789720 43171444 40632432 14307375 21044178 27705202 15946558 56394168 20826002 2726966 glycocholete sulfate* 139275 240200 835497 235089 199448 794830 1069209 2580102 648368 285963 756387 1236907 675999 587169 3157611 492330 577340 123601 580566 107384 825000 492515 542145 610444 3748093 3177640 607333 756121 1032874 1150943 986721 681936 2754233 589490 2071017 385712 961637 206565 664150 1399503 1645325 1550863 1526596 520310 244186 1209295 glycodeoxycholate 6920458 36655340 13144296 35868672 33518948 4182215 4439498 4264970 6841974 12304520 5881938 3653902 6819671 13714293 13887338 54324208 3955889 5363484 30738046 1960459 22909052 3699005 86568400 19143992 9134036 7284958 33125634 12996364 17018134 17677068 8255396 15940303 48194920 9654914 glycodeoxycholate sulfate 40493 476001 1027039 1489271 1266474 1345676 208092 720643 525379 616589 527049 229799 202916 1006280 690903 3543006 119273 350531 953211 105734 139894 992755 3620509 651406 72317 546684 1519437 513152 465527 432694 1940716 408267 922726 132122 glycohyocholate 308349 107974 124663 168103 100296 34623 141412 140839 527652 41731 102338 104056 101081 53210 229444 890424 295693 1045466 72466 183592 759955 178974 153991 69596 618325 323176 513372 112067 3413431 142965 47188 154787 496322 glycohyodeoxycholate 1001382 970354 1539831 2888012 8292626 4512299 1793568 10123109 2316048 619056 9789962 1363655 428236 133505 328362 651646 2033329 826427 857280 739531 502973 294105 264630 245448 412153 glycolithocholate 444563 392113 82441 586982 503375 821901 588108 1285667 179032 4306824 1026915 580261 1246959 1298544 1508748 555138 679463 2826086 glycolithocholate sulfate* 21527 33511 1606103 1618910 1140247 1365801 868227 162069 217222 80029 1223408 2091728 997539 151869 56258 298140 928627 1365222 2924592 278778 493594 1516046 394804 71319 1776455 2526458 14365360 966715 275630 865847 1079835 2275656 2088085 1918339 3942523 547216 863316 3156024 glycosyl-N-palmitoyl-sphingosine 7333816 5269963 5912434 1082870 5094206 6769003 5235621 6784468 5339513 5912153 5508526 4043855 5153548 13538063 5657747 7137194 5029949 6822230 7615209 5188992 9244653 6563733 4451287 3098853 5749914 6191226 9878461 6628182 8364742 4726921 3357135 9578437 4123162 8880222 3137652 7147422 3861218 6254158 9490077 4143394 2885305 5136067 7863552 7200419 4961064 8268841 4448272 glycosyl-N-stearoyl-sphingosine 294133 144338 388972 455690 685542 764225 1005540 151816 717328 323412 506223 821016 1798209 434731 1115495 559126 937202 1165356 268359 1123343 1751377 757179 243340 1222635 1274083 1705650 1162488 1142488 484763 744541 1465971 977114 1119519 837576 565116 474286 696108 1716528 363488 907814 1597577 842250 1894843 969180 1251781 1188856 glycoursodeoxycholate 571098 122864 646821 4376886 3213539 1196025 6404936 877963 158230 212796 4477359 4920474 1870504 610110 503664 764904 1046989 421415 368255 32997562 485084 1928447 334415 1870709 2050713 1221520 2356143 931941 674079 3469202 963992 27764 1595457 1036905 7513102 7995610 5234428 1106284 5981196 704862 1262343 8100196 1518745 5144680 2884912 225938 glycylisoleucine 3144172 224963 1181987 547015 788199 821145 830802 1150910 218917 6187321 401208 424822 567258 296800 1823480 1373156 6190737 1675795 1960629 2138191 407306 1064315 2576664 2917677 880733 402545 823561 242443 1983227 glycylleucine 48424056 1204962 8679087 3973039 12721907 506198 6157166 6116196 1231500 13296186 3693908 11978450 16132357 725647 1142264 4697509 2399311 57596860 6324645 6622729 2248146 551730 15081092 916421 4737762 7660750 1436887 28350858 2131518 9452541 51447556 22398272 16625339 22553648 4090378 943979 11088318 27421248 33867936 6339827 1497886 1425408 5040668 2691293 5152266 6524685 16264693 glycylvaline 12063904 1395850 2538694 1868842 5380466 479598 2910524 3294522 691475 4749210 2437196 4622884 5162973 1354668 1080580 2283977 2171891 11497119 3358641 3016606 2425200 758999 4192319 513661 2628414 4471108 1189906 11537927 1378579 7365340 17958908 11306631 9518473 11139704 4598129 1296774 7329847 12194931 16314305 4533325 1480838 1354974 4604097 1859676 4260262 4274264 8180905 guanidinoacetate 6355161 7819442 21386596 19369840 36298416 13947742 22007198 60516076 7565085 8165068 13805148 24199772 13726381 30456064 28816080 43745312 23312660 13917504 14022654 10574360 7734834 33352148 59293628 14670962 59305716 62491288 60550660 30213972 75192432 15688665 37029256 20326600 17921478 69566200 51733952 73072872 47318336 36664164 44167608 30092592 103987808 34738464 44437132 51598296 48057032 34855352 47126260 guanidinosuccite 5810919 2080332 18730280 25812452 4737400 27403540 70119264 5974268 26740076 5534749 29078304 67295464 86343024 33568904 118972160 15266465 1011242 56434408 7880186 85899728 2046111 3289882 4721259 5905223 4699171 45110632 61849640 51641388 7131003 75090576 68782320 32949386 162844656 47037652 104524024 102434968 26097468 40016940 15743593 22990632 129622688 111237904 32273544 19725748 16374221 16460708 5089616 guanine 699377 7252016 344456 719898 207132 496324 3615397 651915 213106 366920 310487 1141409 1032216 4745119 6937171 750093 2650873 358225 5003564 1084258 2198274 532239 2609888 7136038 3420493 5705470 6519536 2890227 4765785 7966747 3975780 5802335 2396031 2434728 7352071 2719681 3329361 2433753 2806314 2492872 4732888 4982231 3009238 5999822 4888890 guanosine 10731704 131601 9101895 6495685 14218085 10075617 388942 113804 104059 654441 11124398 2471102 15931897 10060759 18587776 19104322 45753500 16018513 35171668 22669096 15479330 19104930 25414562 14080377 13895568 11962153 30754196 10504225 8839532 20189232 20245660 12488720 15698944 14366193 21707606 guanosine 2'-monophosphate (2'-GMP)* 983568 516829 1178061 798141 178586 87527 459073 739514 1088009 348796 208059 459382 405573 257998 123966 1230114 75949 1786370 469867 441336 666972 1131073 2529635 171671 711227 2051153 823559 2509247 1165960 2920752 1853204 1510808 693050 2207218 1736476 181162 1396169 1594605 2285308 911360 658071 868309 1528541 220371 1304230 933355 1748905 guanosine 3'-monophosphate (3'-GMP) 245700 835562 673792 468351 276879 539440 288982 1090340 1296257 348609 423832 144042 152949 854723 365944 968002 805326 247814 464839 430205 743163 2406517 945409 343397 808216 724373 693292 740135 1028256 1136155 532359 357884 298506 610097 1143788 547774 402353 386488 789007 392565 323342 1691125 1147334 483646 404240 354350 960154 gulonic acid* 49885528 17971048 29527538 24812478 33795120 30392408 38159588 132469392 56574424 53456512 59264124 70330544 71089976 93174896 83116296 37335104 7149202 69832176 29174548 60344896 20916316 18986750 232498704 16897184 74283080 37353844 77731000 195744528 152329488 29831484 101705824 76418960 31791050 42087808 107507304 172318560 122604656 72326344 310131456 49171992 115947320 46235140 73395520 101467552 202763552 63739220 110089872 heme 23089676 37302824 30508864 21314128 16531263 13456355 9615648 29669942 33893780 17096610 5798158 8183512 1809562 1555556 301419 47073184 13047777 33214760 98090 45912148 143731 233321 119667 115612 1363025 111765 148322 80620 hexadecanedioate 471597 207992 333729 280783 237448 2704039 549867 10386065 799452 451916 338062 820271 580645 11588301 2034456 4034800 1505125 937691 314624 462017 357861 5120316 3145731 232865 1888245 1266521 701767 2200018 1468954 1012912 2370872 823351 1489184 1550955 1360838 4593477 2707556 1157690 2220474 930239 1279528 2111450 3810898 1331383 693580 1580811 3307886 hexanoylcarnitine 525626 1008423 434510 1622964 859018 1248672 2099046 2412781 16605553 3999564 20038228 3998057 11609579 1678717 hippurate 444129 3403429 42698760 624040 976211 9171405 2055388 25945314 48208848 611574 537125 7471963 1823415 41170088 30868506 34022536 48587512 14099994 452481 1168254 710933 2765647 62383100 815103 34483948 202150112 21152944 79403632 80422632 285924288 22831162 282417248 289098496 98416848 238703552 129810208 265413680 218986960 163798080 272123680 254416640 146066976 303707680 190020640 160743952 176108928 159051856 histamine 8080606 28012406 5509681 3365841 5656827 3475652 16253194 915879 1211680 7166825 3098239 4110568 10518093 3393457 682145 5579051 424839 15567365 6113248 3977995 9544564 1728184 1735310 6284162 2810239 3393627 4230407 780783 2174690 1622591 14962517 2674353 4995277 4090858 7550138 5180871 399630 1165170 1890725 955787 4077609 2592132 6129884 3517162 6795174 1363159 2205193 histidine 6207638016 4941932032 6478073856 5962915840 6703215104 3586727936 5889458176 4211086592 4477061120 6203826176 5444357120 5430067712 6410424320 4338932736 3989129472 5752920576 5369406976 26674657280 6019204096 4880325120 4239900416 4485517824 30386120704 4483735552 4619926528 5398964736 4257938944 5637352960 4487611904 4475805184 4742937600 4353649664 4192126208 5473605120 4797373440 4746003456 3593118976 4569021440 5392825344 3448087808 5158374400 4451922432 3803230720 6157537280 5017781248 4651516928 4855925248 histidylalanine 19446792 1142727 12206276 628519 3275968 217015 1153863 1407655 3159758 912561 1235037 4156783 880784 2999165 2827498 2603933 864939 728143 1991972 2783095 544419 1604909 463626 808584 359498 1202573 1059291 251130 416721 584384 homoarginine 1733789 5592836 2054354 4949404 2562307 6276066 1272165 884796 6736984 1931691 6361965 5403215 3097867 2475523 6885501 10632130 2838472 15209589 3407651 1604779 1652260 1771099 13888280 14379009 2541554 2449794 7556939 3869773 2114637 8711387 3840397 1490471 5235969 15606089 3233185 9550607 45972448 2866946 3306441 8211128 3510322 5925888 6175471 homocitrulline 1704744 9086403 21180164 2838328 797292 744808 2589291 966200 4488630 13020151 1784232 999535 2125888 1197837 2138638 2574347 2698516 1715420 2113164 25270682 1851871 1623282 4786869 2713286 1179714 6208216 1484813 3201197 768629 4031426 3018793 1450592 5656307 4254899 1140056 1427109 3784998 3048588 2136735 2488186 2618115 1854114 3633142 1259980 1563962 2418881 6091751 homocysteine 1129474 1849251 480520 1068972 352122 1692361 1679097 260071 1342127 633828 1291011 1074097 812985 1586611 1195448 550058 1415275 575772 827883 320063 969344 1583535 1290191 3431788 929092 3864202 1195412 2131518 4681575 4572092 1955867 4110448 1204636 1180869 2818346 3068524 3443112 2139343 1471768 1121304 784808 2312770 1353025 2834378 2889112 homovanillate (HVA) 235138 85514 155001 44768 84203 385753 40966 405795 944422 88381 553270 105992 1325061 278202 404072 121132 1218147 1484708 334140 73222 300899 323918 158817 138041 414162 1112443 301822 522873 908456 homovanillate sulfate 138798 38100 2264290 205068 188671 401069 6215613 390264 337241 283884 1598929 1072388 217504 211380 479608 71733 1964155 484871 375821 319349 33180 1017369 hydantoin-5-propionic acid 80126 59974 11539653 23958 75786 129689 145786 1807396 6509987 90409 94103 205517 72193 53916 73593 159843 168986 47934 130784 49369 22697 305898 260604 hypotaurine 14394925 30111624 23381136 10227673 21075926 14877094 22298172 30481806 5088076 21518808 8707012 14366670 13107203 29826972 20411412 15658433 22051806 23105320 17079528 12210771 11039898 20388330 39659748 12537033 17511500 19137356 18858556 14280900 27869588 12244785 5003765 19944878 12015847 17084516 12638971 18018566 22108698 19327746 27015878 20060270 19876494 14396173 5713640 22202312 10643854 18466628 18498380 hypoxanthine 274301 188818 218609 190387 273393 145552 292446 160477296 484785 260459 236450 88801 702889 183520816 141040432 214379136 149134352 2154270 162645 1664901 5947356 203186144 61095992 75889 249571328 313224000 294316512 328193248 247781696 270041696 258198384 276856704 262187344 354132096 312664992 281385568 284292128 307301536 308584544 253097872 266941872 279408160 288806208 287225280 237213008 287724608 313325312 imidazole lactate 4766373 8532626 7183641 6738400 4634421 2007878 7605924 4095155 54175124 2705756 3646174 5488229 4461974 4336616 8810473 8850348 1686563 147259040 2195271 3856971 33744 6461161 70313584 4994526 3212544 11639343 5436615 19583912 6280966 6590103 5712454 3252006 6412222 10602261 5262295 4774702 2108598 5167917 15619608 4205918 4147286 4392311 3128923 4912352 4256255 8065861 20183718 imidazole propiote 359032 1820083 5925053 264949 1470215 452796 328061 1354902 9964258 5955911 1786431 1520463 1602465 254023 2853815 7895766 465108 4263197 755962 1550473 2094081 1451519 53673440 1097275 1866976 1669950 1039936 4605172 12916514 198257 1077671 874361 370103 492660 770274 446564 3228389 1316560 28382328 605066 2536314 336371 3356971 2787585 1798310 207329 889071 indole-3-carboxylic acid 41021 147656 63910 67813 57087 126161 35174 76023 232402 15967 36363 29530 32287 46136 20782 65704 103167 265741 49776 28578 29089 60318 271427 42299 61384 66452 95733 110597 92296 76042 60681 126162 83130 84028 74188 107695 65324 125690 84391 104538 97889 104735 68531 49898 164026 indoleacetate 72733 131405 105004 202277 207580 65854 61173 68163 381009 48981 127302 50718 56699 35461 108945 108227 135830 90905 54537 109890 114021 74258 199364 27837 40728 23627 24714 28181 24577 19634 45202 53529 27908 107087 28227 43362 35547 inosine 2686794 519570 3889587 1317999 1647161 1419558 5004571 57418584 2979058 3413349 2231191 4167387 3371843 38020900 35417044 75493984 36883824 7853530 3193389 4591456 5740888 63862392 44446912 1174881 96149368 166527888 141717824 270558976 170470656 199247376 374795424 274019520 198089408 190288880 282829568 112551056 275604160 190010640 377350720 113326088 65110672 105670064 149867104 91977704 184241008 137670288 175029440 inosine 5'-monophosphate (IMP) 287535 346966 297226 230797 209052 333365 273805 259381 133544 278125 191037 135744 237290 458489 78547 84833 109305 364550 392586 428571 87218 244328 453183 202118 301378 220148 167897 395858 341503 186806 191462 284797 194507 291218 326482 173114 125800 295046 130695 207409 330166 163129 112957 146664 200468 269806 inositol 1-phosphate (I1P) 16987244 5749243 1940116 6267623 4251545 1040302 3033151 18903450 1236100 16398712 2985634 7447120 5401235 11348230 1057083 27696890 1919540 10216890 7204684 7542841 1422379 5586523 15958493 470153 12369694 13139455 3421421 7130029 12978160 5439878 6704256 10504663 5014478 12236434 1102457 652873 5584442 7910989 13822838 5896833 1883721 5447845 8674997 3183170 1553791 15604130 19460236 Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, myo-inositol 1,4 or 1,3-diphosphate 204972 77049 147276 128021 178354 83030 53495 186352 191892 89355 58882 94601 336010 212101 1160768 33673 117841 101236 114219 71510 292419 31417 262831 384611 240894 238622 1210322 390138 658335 663605 547293 277490 605866 237649 348924 246942 649325 782656 392381 221658 464840 341327 269429 isobutyrylcarnitine 8109873 32834518 3541789 5739099 10948334 4667772 6696826 22676672 4622732 3292038 1185330 1258477 24370592 15991902 39659144 5779659 3369784 10351522 6180914 17960284 23736092 7219729 11672856 5661533 11625898 176943440 29986568 7272645 139977312 35695792 28542728 1554085 8889090 35574692 19714470 7706621 166392928 128722376 6427623 37753992 21997362 11916017 29831384 42370044 27589362 isocitrate 10713480 1406799 3644095 3974677 3355216 285446 2165092 1296225 2442364 2833422 4199519 2786570 1712478 698598 661670 173466 8856019 3730624 5560273 3039705 308852 9283108 918674 3292401 8918051 2555081 8763040 4608434 7156851 6740389 10968696 7672277 3340030 11220734 6142366 7046785 8934995 13718014 4378625 2109587 2646231 5305072 4743233 3817972 9039148 2091387 isoleucine 3555114240 2520242176 2524803072 2911170304 3730309632 2245763840 3375111168 3725504512 2375663872 3323757824 2947377408 3685529856 3046952960 3472946176 4095789824 4104308224 4541549056 4116972544 3434885120 2852074752 2425068288 3266387968 4028563200 1998806528 3669270784 4410856448 3246053376 3840876032 3837773824 3934418432 3802726400 4081904384 3807812608 4321473024 3607907840 3567637248 3600540672 4273190144 4062603264 3093218816 3491914240 3516754944 3630061824 4296260608 3738928384 4221030656 3965559808 isoleucylglycine 28558406 1323017 4804344 4188643 12756481 277621 7284143 5605557 1506729 8909537 5006936 13648152 14763936 717734 1111426 3759084 2891759 13953201 5735835 7659891 3440237 1012532 3002171 421751 5751576 10036851 2003914 26475368 2753621 13102925 79334160 44540172 26092400 32308520 6543214 1319359 27085088 35683968 69291840 7801646 2121069 2064199 7676518 4138964 8276784 5621949 16030652 isovalerylcarnitine 3466183 36629504 4833782 4888351 1358581 8926577 5075505 2867332 33784800 1381987 3068266 3319861 6390517 17806966 7686527 5585697 6282186 2499022 545790 4318946 12973541 2355687 7415806 5757651 2465367 20230030 5583324 3253833 64027712 28934292 1613762 2686850 4594265 1729094 8904116 30741228 2957093 6177002 7712736 1130679 4752496 16832388 kynurete 1412157 14235022 6189430 3323366 1706907 7895309 1584434 3926068 52745476 847364 907219 1201994 1568000 2054918 5434879 6822601 626209 6118556 1131904 1130372 3813922 6440532 3328075 2470791 2058892 1348348 1273828 4950758 3054203 4087532 2094046 1135958 5591456 4293518 1380775 3983443 1050418 773194 4842199 1241844 2069583 11040316 664449 5370517 1305716 3155061 16922024 kynurenine 26818906 170759760 226607296 69629840 69825040 242360864 95964720 169062512 53531748 114703200 75540224 93980288 195166048 34873600 445509472 124434272 20424906 414231872 60582500 88957808 65436352 45364856 95253008 125342424 90122272 23623258 19355688 91564320 110883864 104179200 160539040 89857264 52060044 108128432 64575972 115566184 55971356 53137720 60192660 54166388 105899864 172676576 12331179 145677328 58526328 134771104 73723912 L-urobilin 9335392 1133256 7221379 1033686 695636 288557 9923086 775212 2078237 2259641 116358 12517409 782647 3372733 1038754 2368382 1152726 305902 9700223 786088 1085090 1179926 2443397 7909401 3790062 909067 2231341 6346619 lactate 626742912 476905760 673089792 678452224 536947392 571691904 666335552 398737568 435309920 628061632 621878592 579102336 653419072 140599120 185445728 395854304 130751080 901804416 627212096 574391552 656487936 226042416 957764416 721295808 601715264 691127232 610698944 652829504 405213024 633562816 752444672 593938240 641986560 819677312 709546176 385817472 579937280 703377408 824966208 503874400 519998080 492739776 594288512 627912576 629157120 603216832 600735744 lactobiote 316423 573352000 93669 218153 430044 603300416 74578328 709379200 155434576 272331 363792 595153792 279418 276576448 548694784 415905600 177289040 368981024 384545312 477785152 498467264 415550784 410627616 358395680 334239424 639048256 351255712 181276464 879067008 337918976 388292320 929047104 618294016 672107520 488407168 797788928 lactose 836887 227680 181118 425546 764410 277026 826464 1009812 1052821 811062 272751 635876 677559 288348 845975 557945 630148 352961 168078 421607 494003 585818 982699 748992 951509 713738 266606 490759 485383 385926 711025 590656 844184 431639 1265140 1096205 1055936 1478976 1441199 1009215 795802 352233 627404 555875 lactosyl-N-palmitoyl-sphingosine 14087391 11984350 6500031 6140872 5365971 9887914 5278519 10425366 26912804 6107612 9915425 3860178 7752670 18411832 7251119 12694146 7815812 20690476 8134600 4769468 8011257 9649785 19653016 4068990 10129001 14028509 11799718 23478908 20031226 6694670 6945440 13344540 8567956 13070688 16970280 14660044 12912162 12832194 11531240 5649116 8602580 13399596 11355533 12139103 9263247 14674817 13221970 lanthionine 10314215 16894028 16708326 13503072 16106458 9361048 16062397 10284625 18868546 9311222 11094197 15400590 11374876 9837795 9506109 13963217 2404000 15999908 6573923 9189772 8436140 11901529 6342452 10998335 12231962 8848382 7334133 10057068 19981604 6874661 9311407 18028956 2197460 4150602 19870916 41278392 11974255 15395824 14985746 12071404 24341968 7317860 18288740 8388112 16833740 7551384 7381565 laurate (12:0) 874761664 213251232 503036800 394068096 234645248 80726840 32712232 143885072 174629952 564798592 64326424 21374338 57398424 95226240 34308856 58951768 26863688 98942016 608778240 525201984 35773800 103810736 1364232448 184950656 136109344 359515008 56019608 614616640 147504960 150231024 363606016 83236456 182858976 769629632 49015360 24424364 228526320 134348080 241052896 90701976 37480452 287922304 111757688 32347298 26834182 278860320 669275264 laurylcarnitine 688185 200172 377777 272672 303643 320130 1168102 303629 128784 177425 528347 399268 271030 233609 374282 383853 286406 116273 173270 5648333 544737 187924 155194 4716146 900524 351853 2423462 700768 742994 536978 304232 823393 362031 931431 420565 154180 722793 354633 249236 2021311 1298535 leucine 5863443968 3802254336 5122782720 4502558720 5443915264 2873822464 5185745920 4630697984 3535856896 5540880384 4540636160 5137928704 5007169024 4246872576 4678444544 5331829248 5579671552 5204152832 5582298624 4174689792 3153110784 3803902976 5526781440 3165663232 4786736128 5924123136 3727371264 5488925184 4515304448 4645082112 5075420160 4919976960 4553466880 5704594432 4635929600 4324803072 4381283840 5448050176 5315580928 3568780032 4451369984 4338190336 4580602368 5774148608 4658100736 5317241856 5226338304 leucylglutamine* 6998242 2958154 9462754 2183436 4253229 93020 2316287 591441 1907989 4402458 1194992 1706062 4392152 287686 1192655 749988 1170886 5961239 2679240 4443966 2184546 518193 1614114 203396 5231068 407179 1809412 5918717 1349468 2495425 3033235 883942 207049 1934869 1784989 5866356 286882 132049 677307 578468 809754 983816 1361880 leucylglycine 2237568 356281 734119 633023 709506 427300 414119 318772 1282004 540420 2219704 443626 1905589 640175 497034 2006386 1240600 2391487 656377 1041246 957360 403743 1759872 1416843 207751 1765066 997061 1001870 1069292 lidocaine 56761920 191442384 1196844 2966083 598074944 14315800 2553962 253195 3173987328 515870 9038685 11458216 1920229 11507919 3676195 2421235 2297595 8303532 1239559 23252858 linoleamide (18:2n6) 519048 251828 352166 332342 286574 2230262 2275327 800654 683021 6218863 308463 275626 1666114 1629388 285389 1148894 204725 298832 273084 317265 214957 879502 938423 830933 334540 549706 354721 6297807 439704 104437 15299614 227486 192643 1485131 97339 391427 225664 1583101 275129 1296982 259896 263461 260208 329449 517628 1812065 linoleate (18:2n6) 9510639616 7945593856 10024461312 6565413376 7064718336 5238801408 7347584512 7439158272 9760280576 7496780800 5625254912 7805964800 10986267648 5176918016 12098893824 4755933184 7545387008 6550861824 7780171264 2885615872 7632999424 13448091648 3884578304 9879794688 15735268352 7052007936 18168860672 9649228800 8632767488 11726948352 10010801152 7468410368 17508708352 3336946432 2776384000 12591649792 10852340736 18781237248 6802252800 4704317440 8369021952 12274946048 5351367168 4276140544 12284347392 14048458752 linolete [alpha or gamma; (18:3n3 or 6)] 1391816576 1031568000 1794141824 784083520 1088798464 661940864 655357248 2501910016 1004854144 1266525696 1246913152 609886656 770230656 935172928 458237632 1596600960 533884992 1131319040 1063004352 1542635520 339489056 1097963776 2983587072 368908704 1204432640 3599295488 698205888 2881441792 1450321792 821591680 1509924736 1055835776 1169113984 3833269248 770726208 422532448 1929116928 1667990272 6179787264 914373824 489370496 1303962624 1616990208 972962304 488762368 1930415488 2700634112 linoleoylcarnitine* 44130968 21450846 41062664 18504986 13549599 15793091 13792216 47184916 51672188 19338472 16065028 8685785 17976852 44316632 25303272 36973128 6981009 45657168 20948584 10957164 3560319 7019539 202815936 8395752 56297020 45702488 17810028 177590480 41524800 17547386 65743528 40569472 32947068 37304104 9040612 39529492 56715488 26978646 80499944 27595468 21360876 34471048 34763500 16915834 14436890 92252016 40412956 lysine 4243146496 4258399744 4587493376 4127338240 4469970944 3738223872 4522719744 3980637184 3233563136 4300670976 4085415680 4055201792 4242239232 4185427968 3789146368 4471096320 4450526208 3779745792 4399962112 3620305664 3389269760 3870449664 4237500416 3674130432 4237831168 4423621120 3305351168 4106561280 3934306304 3838023680 3535334400 3465352192 3348998656 4233222656 3865800192 3934340096 3325783040 3765097216 3679622656 3253624320 4074389504 3957660416 3700390400 4482028544 3867016448 3842227712 3895938048 lysylleucine 16630739 421810 4706977 273037 3511322 79744 1391765 1137737 362872 4806490 362762 3026344 2531893 232528 1230866 501235 10420827 1496507 1514994 230664 5041354 220234 1338882 2141244 622266 6640059 415212 1806966 6192689 1657433 2892722 3698824 823628 70098 997012 6766752 5224519 1294310 447013 226322 902131 1137941 1687049 2403615 5405643 malate 1000598592 611985600 1230908288 1021433280 839943744 913387968 946135552 776090880 641618240 881745024 925273920 978476416 1258578688 805960448 655378880 994349120 476847040 1115435776 680347392 924199936 732246208 812850688 1309811712 709707648 1026127040 1191597952 1431033600 883844736 798852416 910079104 1022848320 740851200 1133976320 802447168 1181621760 1032912064 1070117056 1199168000 942282240 936783488 1566552192 1401691520 1065441472 1013053312 1157223808 1379506560 918339328 maleate 5965400 4404178 293592576 105339520 66182520 126672720 2268890 27791020 9144832 3103365 64525432 56959948 76791696 33642784 108905632 45367368 8654539 76381360 561253 97494320 1268107 6366389 126967744 1533764 341585696 83849896 67463920 114249416 82635952 4267453 18432224 38541048 1741685 52076760 143441840 63442168 56184532 73082664 49018632 5058038 128330792 98171208 98454080 125202376 68108448 129467096 154096912 malote 5587475 7260004 4676742 6829658 6917418 7530497 2747833 3413231 5487783 5550449 5464105 6374199 5734662 4339051 5394619 3192400 4694908 5611452 5750688 5242292 7472774 3566989 3190511 8685044 4419170 6129827 6198931 3527089 4382374 4376578 3488102 2376873 3932641 3970446 7140869 6363666 3991262 4244028 4422214 3025540 6266830 4195735 6546685 3663699 3533528 4107351 3031576 malonylcarnitine 4091468 3865250 6049571 3680149 2365026 1896612 3302771 5057720 5226216 3883927 3507519 2916616 7851735 12026145 6690093 4507845 3736506 3540526 3085067 3844543 1358438 6072314 14687758 2912204 10896572 5356042 4691409 11347300 6119649 7283129 7241001 6701812 6817320 5902039 9128859 5334870 4949130 4334075 6513425 5167384 6688426 6981198 10431426 7116199 4801715 4853053 10202434 maltohexaose 331476 89682 491204 23572 238977 970956 1408892 132468 22097 522590 157839 84621 203883 68745 852378 69773 1261064 36973 55724 29106 239161 83337 1392292 30976 27237 200065 1063652 79107 maltopentaose 69000 2726088 981854 456345 5223324 73120 43228 309174 2751658 10988699 13312077 1390455 1123458 8143426 178900 574668 126284 1305987 425439 251992 2516046 518648 10001988 1116392 153381 12403066 2741394 193743 168231 804955 838207 505578 249757 3310458 1090607 16031098 355532 164554 1424408 13562197 389328 579216 maltose 5335433 18546388 7582818 6001887 669814 12513486 3175466 128976 2399425 24146252 27997812 19040866 362627 19291780 5894552 37863224 3535560 6306055 3274595 1258717 16667000 4863493 6088714 25199476 2424882 28242932 19245600 3585376 20824528 20396354 5253893 2404401 8405093 15223304 11665470 7568979 18298404 9776621 32070704 5156466 8405991 16427175 32539510 10183510 14007058 maltotetraose 1261973 135836 32909520 11434005 7297434 331286 75049784 2046641 388471 5664785 25781112 155775792 167733632 284783 24706980 11419929 94941 91619064 2660068 8573103 1307483 343997 12035170 6702752 3031857 21338344 7168992 131388776 11146396 1717416 170423392 30419374 2730325 1622081 9688280 6372957 4116813 2355301 36891300 13362839 213157744 3295818 2715445 11753370 190624352 3367493 8092919 maltotriose 5237124 847414 69312064 24950560 20141776 4491313 134695744 8696371 232990 16343658 61544724 269176896 229577936 1786163 75279968 37638724 1908657 177962704 9942088 21254400 4635272 1153366 30109164 20091094 11977409 67521296 18020114 257283040 35308392 6637579 288682240 73137264 9536981 2755075 26544616 22746430 1297663 9514357 91228360 37321976 403153440 12247292 10470136 34873008 321380768 11948100 31672716 mannitol/sorbitol 45680068 8917871 60122332 23033348 67506968 17744088 58021612 12896328 6794412 34374312 70224384 99120672 67182832 6618538 149510224 68632704 21995568 446548800 33138596 59424500 26629146 12943947 485868960 14122561 29697462 92787880 46417608 545745536 185467456 81540112 94882816 106172584 73194832 25299512 93930184 63099796 49709164 22080906 175447632 23412300 23957920 101472712 55804208 88077448 14749290 13231574 136225712 mannose 5030550 2168954 7509401 4414435 8778041 3958341 9217796 11837233 3404627 7086640 7397913 9624269 7179019 12029923 7058505 20013806 5645488 12710973 6033818 7412636 4834486 6932544 14700893 2665593 17504812 9835584 64429148 11961562 11744725 19234200 30790550 20378332 19075064 20138284 24214244 21898172 11041876 18050430 16219026 16255342 31206628 19432540 13973088 16485840 14109490 18056260 25133904 margarate (17:0) 223967072 140409984 137535536 121147560 125094784 182771968 210827456 1097663488 135688864 274081728 226378768 234764544 270040320 573509440 144637120 715253888 120089512 203877536 156297632 165710208 99015064 598154816 375735968 75294352 591200768 870326656 307421632 1919886720 596670528 333609664 997596224 434578816 277934048 1736587520 175259104 110976688 516644608 410995712 2604333824 196530224 234716240 540837952 457954368 316538336 187900672 590309760 750706304 mead acid (20:3n9) 161327840 105222224 59615664 119916864 147743968 53998072 123340904 49110748 247659248 191773616 121784992 84657904 79996008 79147776 42947268 50147140 63673792 37577236 131974176 61599912 153944624 331149568 71519872 25145244 50625260 160161024 44340692 101260776 91492976 103786256 87139120 87875792 101184176 93939392 128442816 78356696 35789068 120884744 270895488 76977368 100137160 154433440 57568488 222906240 95467096 82994984 204125680 methionine 3155345920 2150116608 2462244096 2359194880 3452194304 1519175040 2937201664 3458914816 1514378880 3089971968 2267222528 2927083776 2603889664 3134972160 3267699968 4318191104 4554574848 3733561856 3199353856 2065959424 1773130112 2973842944 4007554816 1454603392 3454030336 4387206144 2413908992 3897996288 3379186176 3476729856 3517768704 3504679168 2964583680 4266145536 3195743744 2929875456 2929310720 4044055552 4019793920 2207243264 3133511680 3114758912 3190676480 4462204416 3354162432 3829459200 3947096064 methionine sulfone 2986669 871702 2365077 1067883 657885 700717 1091081 1034443 2002366 1311654 315397 1017514 1183186 3689907 3578844 3225864 674364 2554982 1414399 1360452 1174924 1029967 2684676 1861382 1648711 2111092 2971637 2473682 1952082 598550 1788879 1101227 2415669 2115578 2093868 1058007 1485793 13797821 1312230 5152844 1805309 2182167 1611616 1912826 2534610 2812127 methionine sulfoxide 176074096 130248448 72193264 96289776 173062992 90212440 180274192 150391712 127821640 116377936 148963920 156007504 145376304 134348656 199710240 177652592 106804544 240758864 150169136 96181696 42218484 115425904 315778336 43601392 130805112 210825632 108650248 225948832 135548560 138194464 102502480 75551000 137887152 194133792 120612984 121206512 123605800 139630400 145354000 59589620 131930144 135314704 134793856 226875280 131289456 156738640 171445360 methyl glucopyranoside (alpha + beta) 2899267 242439 3212862 2741225 4240910 287881 1840508 2766435 281819 3604889 4256820 795723 2413849 1284494 128069 2440439 787934 4452270 2908086 2149101 4563421 1819652 7962132 449818 1549650 4290795 2934642 3019715 4252050 13934360 3049343 2567726 3778570 4213692 3351306 1683802 7665328 2937714 4231774 3244845 3760765 3868852 2659870 4975260 2296304 6921731 2967933 methylmalote (MMA) 82617928 21359548 79625952 90410728 124633952 20509914 69243256 87450264 29082456 112650488 94556376 125656896 113853752 38794184 31598544 66226368 8626355 374850624 57316352 58106264 51332200 66417056 32910324 41998952 143549216 69357440 52357596 12279514 22080192 31687788 29098838 74361472 139915808 112805488 85278048 25124812 12879501 85081872 15878724 10160319 51387436 37128916 63486060 23083664 28284546 30549736 27535432 methylphosphate 181947 92665 67470 69711 105082 140849 145736 531109 93802 143976 149471 100660 119271 407894 110890 314645 141490 315513 129004 116246 113532 318882 710454 449970 382833 286307 470553 440577 466164 251973 218840 297053 394735 350187 434284 324345 365824 574923 187757 308038 535883 335103 591700 355066 389436 403827 methylsuccite 732580 494149 937165 425151 351304 1043551 687897 912715 6846760 367936 1314486 1613362 370523 1329106 261780 384684 155039 1381415 176487 620115 399298 291734 488038 372231 358777 782847 700701 901821 689292 797844 607284 517619 864581 723292 583529 668088 391020 887659 810930 475796 992532 965936 1081228 500146 439109 942426 1303023 myo-inositol 17049220 22681624 12885563 10841964 20359522 12860977 11321281 14131398 15975608 29530738 9733603 13746993 14120657 14061454 7771120 12744448 6865106 8474991 20880344 11477825 15991254 16772622 12796658 18554784 16038193 7840846 7585786 10797360 11958541 6648824 9933495 11130780 6556723 7938869 6531029 8264835 7014952 5150416 7242014 12401095 5355732 5315163 9502696 4880189 6817084 9740485 9509360 myo-inositol diphosphate (1,4 or 1,3) 645136 117643 294218 124876 777023 185339 65583 101615 277954 146174 1595698 912093 170419 192085 565423 1002718 461438 605225 1052511 620695 758263 614872 412804 589013 1282929 943922 422704 907376 972756 993122 1052227 574305 790395 341169 438426 395545 770548 myristate (14:0) 1630484224 1024260032 1605936896 906150848 1125068288 703297792 463359072 2338848256 854433280 1580588416 649713408 408623776 828139904 1347476352 513981056 1499590912 607237952 1226342912 1219286144 1483380864 750501504 774793728 4110873856 569185856 1532108672 4762529792 1437856640 5606350848 2032003968 2272065792 4467033088 1659469056 2193652736 6918471680 769516416 437710496 2695486464 2325401344 4412713472 1579796352 708047872 2508741376 1746678912 817104896 505730816 3492788480 3763625216 myristoleate (14:1n5) 121904352 81397784 105441000 55039924 70654152 125988888 35091876 400781568 181340784 67784144 25153608 32616376 84579312 190665776 77412104 144669488 42964288 238321088 46825112 77898400 69301664 125491944 606241920 56438180 232545504 471447424 116004464 953282432 433014496 303517792 517227712 230644512 302023136 1759142528 119340896 45420452 423389696 449731776 503923296 289479616 83648464 384657536 234840256 114622848 71292256 937140800 786682880 myristoylcarnitine 2374632 1164326 2297270 688684 330777 1636968 329344 1128409 5959535 965685 361768 248327 518480 2235401 1674203 1733584 559322 2784215 1457824 380188 1227237 744865 33924096 1286423 4058116 4775743 2268730 58813552 4952193 2261452 33182042 9022391 9671856 16767190 1111766 6832153 11046538 3177705 16978882 5509037 1235397 7538922 1720599 2218541 751017 32100744 6813490 N(1)-acetylspermine 135776 2393716 223127 1276280 942869 461820 622795 243277 61955 942591 128835 506787 332864 177380 456124 699155 186595 101051 121894 312765 478982 116927 415102 255263 N-acetyl-1-methylhistidine* 1608570 4877697 461903 1881436 1613022 749762 725357 414644 4616871 936737 4216448 1549559 3747616 1156038 10557654 224589 12340721 2041545 416019 2424201 4606517 1690125 486209 365743 12812959 2545720 2146858 4880084 4424032 468411 1220208 4874351 14173454 337086 1720913 480101 1406632 3240400 5867898 3682825 1120443 1402693 3271475 369755 2011735 9270423 N-acetyl-aspartyl-glutamate (AG) 433707 576422 224739 661222 296181 376763 177155 685113 1193482 519675 317054 333725 341561 456840 84742 137416 567845 681677 299564 422468 1734820 353953 414568 740602 273345 506434 122002 1327357 582400 676237 145949 116936 2444707 N-acetyl-cadaverine 749386 5342187 942044 686284 2140785 736280 934098 6090148 647020 1189259 509558 1408764 501463 402471 3520819 450952 833737 251972 221034 190905 4489701 587689 547971 239646 1489081 878508 353018 349823 1079325 1676764 655304 403156 519645 972436 273517 586124 502965 502404 433244 795920 N-Acetyl-D-mannosamine 6-phosphate 1789223 398812 6052564 723398 1103068 162180 1254074 1173916 3072000 550995 883474 756107 1306064 1349709 381086 2905889 861879 5393618 999322 1054084 1949776 2360589 9264156 796994 2881698 8977091 8003201 12198381 4250499 15897803 10702334 23917844 13410381 9799279 6674594 4542960 5432279 10022066 20286210 7917848 3280140 2397682 2197635 1424633 4083726 14650198 9350162 N-acetylalanine 4173303 3459937 3198776 2968014 3885312 2391582 3290280 6268867 2360953 3837774 2998073 4182507 2445404 3933814 5652848 7203323 6420675 7986118 3996588 2503473 2502052 4473467 7484085 1581026 7080084 8411922 3714688 6880213 5891684 6156931 4676021 6185585 5171388 7625191 7185465 4926601 5786978 6929732 6803791 4363433 3506647 3735299 5157297 8164954 4893436 4988680 6192444 N-acetylarginine 3821426 8392019 1910886 2177547 4814759 742856 1258086 618553 1582936 2668559 525829 2910902 2775991 1241064 508662 5243912 476741 7198940 2580364 629253 823205 2294451 1191768 1445075 900920 13721274 1557093 1039767 4079724 2052776 656451 899903 2056219 4138339 658755 764383 511094 3048398 6245962 2779138 4539062 789646 737077 2121240 1709605 1240210 4697963 N-acetylasparagine 962719 1855675 747388 1122056 1384554 810912 1024157 1181907 2623426 1482166 1052839 10520622 1328490 718961 481858 2708700 642322 6873072 1240744 915299 729127 1679996 5207054 452675 1202214 7480531 1953601 1837767 5177417 2603503 5229334 1300001 4329086 4782742 5478665 4112245 2837077 4521089 5781445 7473069 6536211 1528871 3370149 3087120 2841488 2161728 5511202 N-acetylaspartate (A) 5744820 8934797 4218185 6662543 2910999 2808645 5260890 17097782 4119928 3036756 2706847 1758930 1857940 1822085 1675930 1534843 4915067 3799106 6439845 2630921 1573629 2535497 2218316 4855688 1077669 1985368 6529969 1437217 2574468 2585769 1236477 4407298 5290977 6125595 4174493 2335222 3495024 2327184 3174882 2154310 5871803 2318275 11437703 1857814 3489568 N-acetylcitrulline 572519 5367501 121867 191732 623307 92229 117596 202387 375576 36821 569273 74700 60586 76956 133759 707905 241238 61229 121204 70485 92305 26500 1068048 253466 111936 19762 196404 198010 278463 81447 206207 122774 N-acetylcysteine 511459 1259272 1313032 564470 769878 535149 701056 346226 354940 335426 287250 1086008 293108 516542 479094 1573077 346569 537489 609429 756682 1287192 801583 2190998 849392 1826418 1164976 1387322 785340 2242054 743789 1676024 2321365 1315826 1217478 1307972 1148007 1464236 751787 340865 1614749 2024763 N-acetylglucosamine 6-phosphate 133020 427123 202070 46378 183261 346023 123017 74904 853280 149844 741595 588056 951155 187812 1377144 1059032 2234624 1239254 875288 431048 290420 473256 862561 2116753 750314 64680 98333 231365 1386734 853451 N-acetylglucosaminylasparagine 1695961 706231 3084562 1211301 1212566 2812981 3176536 11712601 6957415 1807033 1668953 1455010 2733162 4731450 3311308 5774894 1800208 2298190 1331420 1439115 1258462 3007602 5693063 669150 11643714 3231004 4601458 6058916 6634580 5016808 4864712 7490253 4218212 3538549 7939733 7202356 4066347 5331007 5471378 3908609 7000771 4517174 5479161 6716494 4288350 6178973 3419312 N-acetylglutamate 345470 1117950 759782 471872 379746 889062 200342 1579956 5607530 401639 211778 523534 591639 416843 12579170 728613 1985740 1229030 96842 295716 218627 3852691 389923 309649 770160 700967 761632 2008961 291591 201988 409837 511376 988805 3677170 912986 344629 1752417 1526445 917379 326574 746621 270042 326152 449948 N-acetylglutamine 1703869 2028828 2192076 1819565 1617442 1215806 895282 2836382 3320232 1561527 939821 4673719 2184521 1227201 3704384 4002045 4435695 6902625 734633 1253434 669014 4612845 4053152 1205011 3389821 8447562 5097231 4163911 11315960 4212344 6161584 2227249 7202538 5861927 7661087 4566484 5935279 8383446 9295937 5398587 6760352 4193926 5931858 5415900 4179416 3003845 4802615 N-acetylglycine 335807 626628 567292 558453 553556 826048 932179 3665737 1030327 477799 559495 1482903 979587 1140495 1409373 1289581 1195603 2325940 486054 471089 457459 1253474 1459698 632569 998831 741383 1310732 1702469 1276276 832176 1001584 474467 1108288 917409 1039375 1290644 1420441 759983 1146022 633568 1534699 965252 1303041 906825 977220 465919 1069036 N-acetylhistidine 5733696 12090966 2636479 5747476 8193052 2112998 2787325 1228361 4495935 3941151 2074499 5507820 4171998 1429665 639210 4168207 1464093 27304044 4700070 2830581 3629618 2889712 32111934 3703209 1657993 11707698 4180313 1674379 4460313 3370653 2123623 2296675 4108059 5666779 1669461 2252187 1195954 2238800 4816676 2562156 2982782 2219724 1586478 2728097 1303042 2274221 3903124 N-acetylkynurenine (2) 1061254 96141 1282075 284488 148901 605000 134099 934198 1172908 1052834 1612887 331819 695238 678601 285077 447684 127141 2177679 2427655 N-acetylleucine 280810 241298 390587 247505 244384 167353 136767 139700 375440 256496 139115 301915 295072 132659 268209 102230 919901 129076 192320 162838 79692 157052 131110 103492 190886 455086 80398 223663 106288 135751 85613 51726 187666 200081 112394 109472 112417 111104 127770 86638 149123 203796 122963 128275 90666 201123 194456 N-acetylmannosamine 92160880 35768852 76733240 64753844 75602472 40154472 49702828 71043480 92772848 85589888 88417712 99671576 85465528 56869516 17255730 87143304 23334290 94275464 49030640 84951848 50566396 91216344 58360412 39295200 102494760 93825256 89773480 75995448 80324040 62572344 54463504 82246288 50837412 75986376 87961496 43462980 34588572 84651232 77007376 60858408 191135984 97639320 72455216 76399048 69727312 61646008 104713376 N-acetylmethionine 1507455 122802 325741 248997 986958 485143 399632 501817 172623 640312 734491 877417 620655 69940 352677 200067 514821 797807 520833 197424 596808 891254 156082 716655 1400477 141934 395837 249462 233213 593505 686319 1013975 586494 196229 232786 621489 584820 890991 N-acetylmethionine sulfoxide 230702 674919 59297 136523 60180 220347 415333 81714 116270 90331 123256 247229 141904 160891 481758 105995 87703 76701 714350 295528 143340 117332 352829 293766 86303 124259 183634 202973 85502 206924 174053 340415 68333 101263 291217 82786 195514 312273 N-acetylneuramite 4104668 2489852 3053031 3400336 3202934 2097729 2551661 2897613 9744465 3794963 1916378 3171827 2503572 3504200 2888403 3302153 1211084 3547518 2911598 2511191 1487194 3074185 3993543 1667740 4732311 3015525 5027521 4983285 4779420 2845171 6578221 4966612 3182360 3597367 3179342 2949895 4459293 3594467 3467472 3195865 3377230 4581678 3194003 5355276 4381984 3269798 4382361 N-acetylphenylalanine 242627 242188 456209 274582 354527 206692 192871 267317 1648926 284977 299522 411279 407918 125843 121890 256072 426495 165229 166568 252855 157581 156288 228675 93571 354024 540113 218766 331707 447872 252699 134868 109047 230750 357711 257900 403953 240548 257531 200891 107895 506913 357453 358685 374066 238979 324785 277144 N-acetylputrescine 3409864 3288343 2032566 2319054 3668089 530318 886586 9697717 2059256 1110172 1023636 1781391 99558 735891 1030619 1259890 323481 4054992 1643264 3487880 401222 602580 2010954 469883 11056391 761556 2583508 217648 659868 279971 6762504 2126761 5217718 3050597 318779 699215 588041 362672 1553470 595262 1123961 759257 3207623 215258 2870635 N-acetylserine 20182268 20644152 16589529 18449200 23872246 23139042 23961296 27611326 21220678 22436204 19314500 22243136 18081532 25853996 38998172 31445484 43572328 24182978 24686606 15833511 19121012 27737922 32580110 10868496 22347048 28711904 19416404 20183204 27738360 20428812 16226192 19264274 16289324 22061212 24663276 29349190 21143568 21363180 19882228 22510452 28925358 25048592 20176400 38214700 22009360 20027256 21697386 N-acetyltaurine 206157 525413 79317 190322 209030 152819 97049 1105998 107230 99552 28327 36589 100236 94075 105403 137309 137213 127850 196808 170024 78341 244271 120887 82024 146237 130837 41656 122719 95232 61463 85952 44552 77574 89832 N-acetylthreonine 3177110 2515491 2299145 2359532 3981624 2480590 2487349 4545353 5126005 2445269 2446832 2893474 1625214 4890882 3329488 3726099 5364915 3717806 3417877 1836985 2183549 2985685 5295087 1530357 3693160 4831296 2850976 3521004 3503788 3118801 1752346 2419764 3234988 4235281 3218805 3275755 3195884 3710187 2983206 2160320 2416360 3043942 2991455 5225511 2072822 3501304 3089849 N-acetyltryptophan 3178108 7022771 13560878 126941 7266911 5398325 142400 192493552 288925824 204062256 62638660 39423768 17413996 116841728 2341228 27732136 30285064 151712944 1826002 75398768 255672 243133232 105998864 N-acetyltyrosine 49311 35756 96140 55444 69734 48039 273316 70246 46867 80098 81971 21399 112071 55018 33621 39428 21053 87385 20630 102744 259496 174211 88130 28612 80657 36053 64101 419455 100688 139231 59647 113764 31957 29816 37571 56369 136703 51617 N-acetylvaline 569826 594845 879187 379672 572057 358963 512845 592068 437601 558691 479798 540255 515640 331803 639230 614282 1068385 554670 473971 389867 381700 489358 447934 383210 567325 618487 328143 598541 504627 461659 298285 450140 347226 542241 350482 448974 471112 491483 515188 406415 344813 320407 377790 726317 395566 505671 473482 N-alpha-acetylornithine 2432149 13735509 1353758 1560450 4934393 940107 782063 450993 1381172 2452353 709113 1751675 1219405 719892 564978 719683 541837 1268475 1886867 843954 216606 552792 616818 1174841 537000 1705573 597138 646193 980044 750975 268862 561349 751707 894088 721406 846106 323616 582730 1070158 411567 1116886 597863 626307 756538 711051 427104 578219 N-ethylglycinexylidide 17430928 2804483 669959 3789235 16994332 490853 2097625 342319 107930888 630291 2101546 74424 23621348 36879720 15880476 39374452 1524335 N-formylmethionine 132450 69357 73094 53917 102381 17061 38640 67772 70017 88526 46210 62568 62233 51995 74511 134872 42359 89675 80776 36037 146631 106309 103277 33776 141846 144602 93521 98988 194757 147256 73996 92026 74136 139383 138626 178765 65041 78220 78286 110520 94347 71398 71653 64501 N-formylphenylalanine 505172 395696 350808 359401 410773 250413 309605 225847 592424 217599 404356 303428 419554 265396 326483 233868 260026 233767 463778 250183 247639 239956 348576 181369 277407 263438 226119 391722 283312 347804 94412 127183 376368 149613 249553 175111 199102 282705 157692 127617 136211 329703 230589 297048 140594 226897 251009 N-methylpipecolate 14417495 6854576 5067975 11172396 2465440 3428245 7923751 5222265 72585744 23160420 8303542 3801190 3707472 15885987 10831780 16816548 4143833 37381676 9838663 4750144 1849826 11415096 13282981 3050397 56629712 3436151 3789079 42471616 6998234 27627524 4756363 23720420 13293967 16574061 24240156 39319704 12311219 7822269 18032112 3110892 10380586 26090298 9271101 4671828 8919951 26758810 28569970 N-methylproline 3851916 1535231 3236712 249539 1643309 18487332 607312 1320391 4447393 9231553 7305270 717493 734580 25378232 3601258 6768546 1380172 2249489 2177012 457897 4772487 1102149 8213176 13019344 823086 1038773 2442832 2017291 619599 467471 1817816 6539851 1297612 2855373 633818 4771454 N-monomethylarginine 27175856 24342846 22548530 24319552 35403016 23135522 35119228 56993624 10927018 27793388 22666828 23584016 23320896 51818220 40719184 62487352 47113660 41141600 39248644 20132104 20062560 52306548 66719528 13451778 59287548 65583268 36412692 51756368 55295396 44382088 36342160 37651680 30112338 58853328 50798884 47795828 38050516 40692236 46222912 35639840 52419620 54843972 46191032 64248192 48038844 46112224 57108804 N-palmitoyl-sphinganine (d18:0/16:0) 25541570 30593976 26357738 23763698 21663568 15111144 13171818 13365716 34161688 12794433 29014560 8138842 17498606 9087824 16815208 17367600 10140052 30773604 13456524 11928832 20168672 13514630 24682436 13057184 19356016 8927354 10669787 17253340 45447716 12579692 13298035 19008326 13171971 12399710 17999762 21085658 18417880 22945704 28123676 4633573 29693930 19557652 18217496 29269776 12699483 15346830 9451017 N-palmitoyl-sphingosine (d18:1/16:0) 303574144 230846208 302246560 299453728 243286240 219823680 228731344 325735328 401431232 211126672 367227488 191906656 195933312 253235760 348557984 370724576 153348464 475582816 185579200 185447696 93812536 314246944 396581376 154874048 283483136 184101056 257176000 514993440 687091776 259194288 246010304 442496992 180805536 336254592 352165280 298900448 308437952 287602560 418599776 119202200 220141168 386758144 294321696 494372128 241404992 398783648 268480480 N1,N12-diacetylspermine 10205553 413823 797498 432895 6730674 70804 162138 294680 362874 322421 711644 1159076 759588 276391 371054 104035 243186 216875 343952 113314 N1-Methyl-2-pyridone-5-carboxamide 2399880 5583383 4129528 3446403 1534548 10586018 6071023 11796550 28925786 2414178 7777963 5354060 3963017 18182256 5975444 5228708 4934991 12765902 1037710 5429204 395407 6153851 22231540 1606762 7732386 3790826 1436578 4106509 4642021 2811081 921603 2194703 955805 1302084 3466546 3393057 1957022 2022980 2607787 3507676 2629260 5126379 1970614 7650588 4039890 2032586 1096791 N1-methyladenosine 38361284 72134808 31663024 36735392 28803600 36111056 37319652 25094604 52254996 35182480 30970176 28122852 27700366 34427924 8895876 35516304 9239459 41279124 50952924 28493472 21782424 35377824 27843688 14903461 36268076 28905668 15207400 35706832 26203264 41914584 38029232 22237308 17623542 34085396 19924646 23319252 14954586 17240424 36072268 7833772 14947175 39829184 26609046 40774364 20762566 26123616 48630248 N1-methylguanosine 808067 1428200 757741 464554 567883 756499 633671 795092 1146596 798955 670773 538882 314295 1393843 164028 1145042 326811 1366661 836404 555636 410134 1016935 1298919 239237 1109416 1279605 434068 1560123 1009143 1389216 761612 509421 425574 1061407 950154 600154 530791 417275 992468 185656 267931 1411504 982175 1140927 624122 729190 1393619 N2,N2-dimethylguanosine 9328415 22341116 9695848 9626640 5741169 7020195 8854644 2378685 23654368 8256638 7977707 7071365 7409120 5616303 2484415 4997935 3375526 9450544 12432275 7851449 4767058 5659803 3440757 4132409 5033788 3266999 1463685 6000785 3215983 6762008 6165361 2930500 1311122 5464240 2789715 3149760 1284634 1555466 5251861 549104 1320286 8292860 4247372 4715878 2689465 3449462 8543307 N2,N5-diacetylornithine 1438279 109708 639802 45988 338521 132672 49087 246430 147190 208685 90035 111118 83683 138331 167160 1508961 154913 79822 96087 71331 417741 101571 375924 163976 407762 230994 299940 195211 301884 653723 67467 152205 441457 247602 197375 90026 44552 101236 115609 121201 228403 382199 N2-methylguanosine 1330455 1467524 1376496 935676 782817 1074628 1477696 1085056 1867173 1372498 1158171 1146062 964801 1742229 301895 1253923 379752 2001316 1652604 1368966 878605 1897004 1149666 385563 1694774 1218354 540761 1390400 1094098 1973420 1350020 1015381 586568 1425024 995204 958930 689447 787488 1349983 362078 538582 2354209 1208901 1461195 942286 1207013 2070693 N6,N6,N6-trimethyllysine 29299560 50698744 36511728 47880544 73413088 48517384 52311516 129872896 66569184 38887428 43131460 43390656 43739148 133062232 96492744 179172624 155809376 45970352 54271704 30540064 43528916 110128472 87988920 27535140 109843904 109068392 47098444 57194500 106928184 51707228 28516952 50732116 36755680 64761492 71839608 109460144 29343592 50446304 50306576 35388132 109290128 95108496 50316136 133894856 57522132 46224056 70564384 N6-acetyllysine 146307 178267 216230 354557 115374 288283 441507 158046 179578 204683 224707 233799 248132 349633 228719 799226 81190 259899 148762 88416 215508 284369 82998 232108 453363 73892 237446 152983 161575 142244 126577 278357 224158 290881 110299 96374 132805 108306 136084 161577 156908 255909 191993 110253 226855 N6-carbamoylthreonyladenosine 3455556 4374586 1309267 2456301 2499696 1522485 2070937 2552142 4965975 3254887 2418873 1779262 1330463 2668920 936910 3023750 1138231 4353614 3857521 1595522 84991 1790642 3207104 1333453 2367109 3262839 2061941 3915224 2081888 3031231 2212841 3036150 2688700 4229416 1467757 1868931 2827596 2312958 3571336 1501180 1509777 2616935 2357144 5466322 1858633 4521051 3753288 N6-carboxyethyllysine 1361373 1276938 1591425 1795408 2269647 1339546 1155911 510782 1913803 451226 1017399 491462 744611 3961234 871784 1036090 455806 878481 519387 4206338 1394323 3271881 1668474 2384923 3338039 4492184 2691634 564070 731726 2528305 2072550 5512066 1470128 1668601 722309 3481725 1250746 602604 2257977 1036529 10844501 5607981 2307742 1437688 N6-carboxymethyllysine 1666990 3402419 1936649 760762 545641 2603080 2092359 912495 233262 1144838 2164821 546323 263965 898541 515585 952043 325432 525325 N6-methyladenosine 216478 568283 552929 369117 1230199 461596 898996 345963 146241 178072 236648 313876 761985 577039 1067168 971794 537223 416580 1031440 1014473 1202362 346127 710108 874087 1115895 1085920 580179 1479340 1078106 636479 589546 1050324 802133 956123 729201 632048 1070281 299081 673431 917057 1095344 1485106 923988 723644 1625236 N6-succinyladenosine 9862268 7797856 16392807 20062412 9828031 6083578 9599000 16069144 5530250 10147997 7435712 4404658 12333803 14333722 8780668 36424688 8873309 19926308 9756690 10605980 7607914 4883110 121812456 9691490 24160980 138705696 200606080 82938224 23171784 189215616 255169616 53415504 461954496 187160304 236189968 63102240 94485824 147671616 123279584 30682368 186314496 199204896 42143060 240220608 254340944 104217768 60497304 neopterin 426893 1007159 467088 208385 339215 231903 262097 620074 7939232 104473 614893 100454 502578 944977 543389 2148892 2074930 514433 351793 555093 1457547 218752 826396 447327 4404545 5404905 4429152 2533582 513670 3732325 1720482 833772 1649438 1933894 956281 1930985 4373498 952345 796701 1156696 1016796 3266515 2498999 2743582 2347410 nicotimide 517659904 444183104 912167168 787630976 565981440 661404736 1143141760 1576390912 726584640 632010880 909615040 780857088 689145664 1401721728 1116642304 1294927744 1163521792 1168875008 706548032 914527424 538931648 1499574912 1891129728 510714496 1514815488 1689571456 1594322816 1954387456 1376443136 2046035968 1856035456 1809196032 1820078208 1773660288 2143524480 1525260672 1823148928 1518656128 1929059712 1283277696 1415305088 1544332416 1794862464 1718549248 1474163840 2047600896 1826625408 nicotimide adenine dinucleotide (D+) 182655 244850 256549 248334 152676 622318 339408 1228473 201122 141611 321001 290553 204099 1749481 410882 591325 442436 501835 127477 210649 63294 892717 467417 163948 423143 983848 429471 626000 316661 610153 354353 210115 245760 406220 503736 458817 667151 371376 355887 303312 702300 821458 863367 474974 467415 550809 538277 nicotimide ribonucleotide (NMN) 2596853 1642271 6368786 2799879 2182768 863263 3892970 590968 4541764 2001909 2791090 3523076 4086234 308785 273809 228682 441184 499248 1040274 4511439 1147308 499553 510412 907469 555588 506160 97886 480610 287207 394580 737612 309641 273853 144602 1150147 744933 480291 284325 690628 180565 1363132 236078 504558 401404 254540 284407 367829 nicotimide riboside 54367672 43120180 72948824 62665084 54616832 33935988 37712432 13605061 68314656 37850016 63305064 36634624 40055740 9324730 6040644 3251495 8962746 5856677 12308095 40135748 6318611 11301874 1896250 24301332 8581205 2893643 636232 2061549 4435179 1702214 1502510 2891275 1326008 1147330 3975778 10882151 2960858 1288760 5501738 1624762 2901965 1283469 3272618 5528429 944204 2647893 1533523 nicotite 2295901 7264141 8178685 4918982 3859154 6385637 4675633 2322180 18440720 3242709 2954738 7324826 6356445 4472196 4553237 3399465 1910544 3494429 1638064 2082420 1522173 6906432 2103058 7474617 2602765 2444908 2472288 1417780 3903605 1892991 1364400 2064520 1115598 743703 2997191 2094753 1264806 1362926 1960117 1401862 2773210 2462547 1254260 2216500 2516086 1425631 1907537 nicotite ribonucleoside 3734073 18432936 3631001 3224576 2361791 5823114 3479066 23329232 4289870 2901170 7794306 5235942 6639028 17678836 2758721 2494659 2733592 4057639 11160641 6528355 3642232 6445094 14903583 12010935 5655006 16944044 10157414 4580025 13342218 8871209 6300898 3997037 8937765 2703682 8572281 9077464 4759692 14975509 19190686 7614915 14775027 7537931 10963750 15085412 nodecanoate (19:0) 18414630 7336593 7537482 12008751 9746444 10258573 12714901 44081800 6267945 23305116 11540256 12691603 10364806 22908744 4710422 19731910 4822676 5966624 12397630 9633534 5095529 27175748 17636528 4456489 15644325 33372514 8008954 50720400 13807902 12326342 26020564 10360628 7670720 39394116 6882338 4046631 12415297 12797188 39778856 6286614 7770101 13922080 15067707 10833522 6675207 12292852 17432616 O-desmethylvenlafaxine 32598 199219 64897 119852 203146 155984 175507 105532 98115 68570 209388 185088 129580 91492 288575 110861 54869 141782 245155 87834 O-sulfo-L-tyrosine 739421 689864 471656 624194 724498 479007 513610 724685 3118355 786491 620947 784784 431942 581893 779447 683390 980753 619173 715429 621174 446180 464386 815670 494777 509705 564762 354253 947245 662552 552713 363890 600589 713467 583294 465447 608511 529591 725853 601065 449875 466631 416447 454775 770994 719075 575427 588825 octanoylcarnitine 96385 195089 201282 751606 92651 133964 2382921 170302 1113378 664861 66011 6169788 392072 9148039 69193 164997 947339 683425 900860 oleamide 1703909 2112677 1405685 1362102 1380283 10442316 8835633 2329035 1550170 29793134 1242817 1187212 7983016 6810096 1443076 5282692 1641745 2805340 1551996 1247479 1179102 4183962 2102604 4034628 1337671 2063778 2220273 23758812 1528563 1070963 73824320 1131654 1201207 8084398 1284622 702939 1472561 1234671 4831621 3003418 5934614 1190478 1327006 1332847 5887349 3939781 15898921 oleate/vaccete (18:1) 16379695104 13235259392 13430791168 9439623168 10737187840 8059525120 11331176448 32272730112 12084792320 16826442752 10214893568 8492093952 11998246912 21168465920 8845383680 22449971200 8078569472 12578792448 11363073024 11161658368 6810510848 14494374912 23443791872 5622929408 19361701888 23716804608 11820847104 38513176576 17294221312 13327945728 28678295552 18244169728 12471004160 35808055296 8377319936 4474811904 21146929152 19982135296 35190575104 11579926528 10088553472 17005559808 21745983488 13650263040 8533530624 21180936192 25170337792 oleoyl ethanolamide 12061603 12872637 8898846 8975030 8139096 11607615 7589788 13429327 18992996 11140514 9731135 5973474 11346362 18039004 5885303 5426741 3131287 4911355 5078490 5368417 3751708 9277012 10589033 2553433 7532736 6454075 3280500 22912676 8825354 5256289 11458282 3120678 3394864 10710938 4755346 2783125 6914315 5629661 7637937 2089256 5213522 6948451 7497489 8072684 2276825 3311959 6742484 oleoylcarnitine 29712510 24610324 35800952 21707696 8733748 27478912 17080722 56050812 119614160 17707052 19036252 12574633 18517432 55535644 20771182 54125116 7310748 124150464 18647190 9827638 9432190 12378532 471732384 10636528 159958848 68460760 39341216 515414592 93530848 53319660 355951136 125356768 127278680 121212240 44946136 137104640 204863728 96396000 189774176 62070068 48144112 98509480 100162832 101905592 36190608 244583792 110350720 ornithine 3675173120 3026300416 3594103040 3164223488 3924805888 2385159680 3572154880 3626324992 2724369664 3736420608 3200899584 3359067136 3432450048 3283025408 3585091072 4115678720 4823124992 3252538112 3684119296 2984254208 2568222976 2884663040 3641944064 2568478208 3626598912 4062796288 2911043840 3824399616 3393722624 3432621312 3344075008 3375011840 3024886528 4061894656 3452699136 3314257408 3042723584 3521720576 3550078976 2767907328 3416726016 3354963456 3281722880 4164549632 3471517440 3603111424 3671236608 orotate 1722592 4254479 1160514 967004 1051376 2323910 1279312 756354 3080956 1753639 1757478 1055945 4176565 1875051 1550026 2523701 2090359 1604021 1320652 3835722 4586851 3732684 4421066 971385 973819 12169470 13178761 2043188 1910174 2202669 5853903 720802 15779741 2691846 4206986 3528275 2715863 2477306 1840839 5424395 3741252 699348 826620 7459613 3435535 2011221 4522749 orotidine 175402 193352 142617 498394 81806 52939 39722 77529 92637 737400 54374 62053 180926 62000 69971 40155 367922 46065 125522 181601 43864 115041 116166 219153 365614 oxalate (ethanedioate) 6121532 5708565 3920242 5393141 3318969 4738152 3112540 4412702 12782385 4876172 5260969 2994295 4077370 5526126 3723819 3337254 3200132 3937164 5129700 4904308 4308111 4599596 8326377 3931616 7239190 6734547 7778243 5757028 5464097 5780572 2512480 3155875 5237210 4734095 8375290 8806823 3277620 4976554 4537376 4023069 6709745 9790050 7005535 7747815 7375036 6481581 6649334 oxypurinol 142386688 137454 180169696 38731848 133569232 54436812 115383360 74909072 135978048 158089104 111013128 95307472 157851232 173395760 129806328 157185392 127756408 155742608 158832128 174564400 187244928 109709856 138992672 187202768 152039744 182179568 176653888 169720528 138652464 166638432 p-cresol sulfate 26133 623050 625063 1090259 3275033 359439 224204 416840 599974 690266 269144 187893 3623629 1609675 201160 238565 1043434 2546829 684205 104977 50203 14622969 678600 2072209 2682959 3983686 1799830 6837499 9173985 5579472 6158444 6956723 2708283 18361288 3354862 8601374 40367240 10407710 10307644 7066832 12785544 2041075 14278388 p-cresol-glucuronide* 178627 131795 51503 610116 112363 451018 829095 74098 1055082 108850 29201 113877 101146 1356185 108761 245561 863672 51034 131687 1731781 3413305 919480 4298153 3675304 4676123 4687936 938035 2883038 18246858 1814700 6386747 7837802 3531921 1606717 7351085 palmitate (16:0) 11358688256 9223584768 10449208320 8799330304 8856507392 7513699840 7736967680 15395074048 10277259264 13286284288 7801379328 7463383040 9312214016 14061097984 6517348864 13296801792 6731922944 7972943360 8547688960 8750477312 7418651136 10982600704 12347413504 4645104128 11957906432 17159838720 10597292032 19570528256 11782887424 10939223040 16886605824 10730990592 10328936448 22349885440 6789443584 5095485440 12035495936 11114594304 21246779392 7609074176 8171551744 12348384256 11410934784 9580733440 6888615424 12858678272 13462328320 palmitoleate (16:1n7) 2038863872 2738602496 2332463616 978917952 2109809408 1896191488 1413845760 6315965440 2816280576 2079962112 824059648 1290162688 2177477376 3787586048 2025874688 4725979136 2237941248 3254748416 2191858432 1699629312 2779878144 1494103808 5522285568 1150706816 4385482240 7087021056 3414821120 11164601344 6184227840 4275540480 9412507648 5292158976 4503395328 11312671744 2921793536 1424122368 5710923776 7282040832 9738187776 4417790464 2397313536 4958962688 5175961088 4102057984 1853465088 8091458048 8181677568 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 33950200 44808948 25809810 18515168 20109884 21527452 16961416 17504500 22110888 17398618 20948572 11858816 21505230 14291160 13405226 18216108 13708178 21302610 17313474 16711415 36583632 17418132 27951764 20169348 37227448 19408494 22748376 11567868 20484416 16541507 14784655 16131145 18150452 17708716 17547760 18104486 19065520 27875564 19601848 9726957 35285552 20127502 22773898 22810754 17547336 14050983 14695610 palmitoyl ethanolamide 10479890 19501736 12607229 9515572 9053083 14010743 9231762 14272738 22375480 20944464 7193424 9480433 13660846 13272675 6805043 6383648 7109874 5193361 10478216 7209959 6296398 9878193 9818920 6112997 7811273 9850143 4360654 31740270 11722449 8006914 15597015 5950672 6077186 18498922 10841927 5224807 9307908 8514724 16348432 8343023 7785268 13773512 5804736 7360995 3876145 8005576 6663713 palmitoyl sphingomyelin (d18:1/16:0) 286614176 297769696 243209504 193488064 214163488 222125952 185304576 192669616 276609184 248974896 173141184 174968624 206579680 180602752 146620368 204082128 174484720 160687712 240514560 174819744 282040384 246003168 234468000 240643472 236854528 217896560 264508256 185443136 171010784 207438304 161534688 213801568 197802736 203132368 231716400 163377952 175744976 177806416 201856704 159739472 197199840 180106320 164326592 335588480 203324000 175543952 165365424 palmitoylcarnitine 34437504 19022396 50169000 11877563 8825351 20044882 7241066 27456910 64779800 16792138 6725083 7297033 15288484 30810872 23980728 32959008 9554180 42020980 21889802 6078992 20599982 20573172 229714176 12483929 67408240 49935416 27227196 367922112 58227356 32400906 206626464 98757288 83828888 107194104 21325296 87219288 117610088 60804628 145865472 36933440 28616392 69235536 42757960 54427592 13657259 169283200 56619872 palmitoylcholine 1720679 5719159 388537 783759 540920 8082629 550461 4504541 7578465 1815396 644787 588552 545415 8072499 994660 2085975 1811293 15045594 825856 484259 699129 22660872 7193194 645766 2567970 2458636 1608965 2990352 3867065 3672670 947518 1165432 892740 3848095 639976 1042695 1861510 3429105 1035649 737282 5062486 4001972 2329470 1182015 732367 4150298 4282654 pantothete 756181248 674615104 631766464 655282816 607569536 600294912 574349440 728266944 579991680 656618496 667961792 549347072 588533760 874473344 491048448 548247488 377376096 544636864 648096704 534832128 443079520 614180160 758447744 471918432 603640448 618799744 319585888 494777632 551717376 532364352 332193472 504210272 340563744 463760544 507007136 663289792 476635936 383929056 630319680 390435648 542646208 562651840 458033088 565931136 413886816 692615232 527106496 pelargote (9:0) 2507564 3142781 1214209 2929706 1966460 1815253 1290900 2754894 3301866 2182205 2853140 1647110 1925078 3150399 2805415 2573117 2537670 2663483 1740887 2719969 2297148 2742710 1805688 1167057 2013580 7142665 1700263 9931458 3237599 1943707 1943721 2563847 2910083 9004624 3057211 1876305 2882586 2995200 3995394 1464149 1102150 3278933 2981619 3597537 2413470 3290834 2709282 penicillin G 5676398 13865365 12012282 6585019 6479168 29737880 8260801 9194081 9545061 9558579 5830440 31473030 8000529 21951168 26012264 32044784 33226356 30305646 55229048 phenol sulfate 89123 594507 611685 250684 621182 1626538 740623 1050703 9092094 108010 469237 969747 3471871 1082408 359562 1248696 2738244 1028432 161707 852776 249165 877804 2521686 576975 9419753 1946121 3794108 11762652 773648 1807193 854929 1938710 1532025 869105 494339 225954 2847779 2350459 2766584 5066304 4892307 1478257 6349515 1423471 1435837 743001 6212289 phenylacetylglutamate 126089 958923 321856 204574 1169643 375390 1675406 922449 21299384 6515283 1342978 932192 1623015 90970 2221856 470896 4345814 178037 1603685 973804 1023345 1800032 2970390 2277663 1158957 728175 1289741 1716855 5398016 870478 3049303 2112474 1520235 2658126 6417755 2413883 1717953 6986640 7782651 phenylacetylglutamine 3181233 14742500 9355802 5045822 16904336 14322055 34285168 28355604 219090832 2044887 74064448 25183064 21355700 77485432 9427654 57937240 23048632 79410832 6101465 30167950 3604084 50954840 2760439 1333175 2510678 56341932 56766764 76013360 11203938 112519488 74312616 26046804 3909660 53369680 3680765 103588432 279809248 42757508 91019696 76569416 83183992 168176752 282085568 72243064 95104872 232776960 233657984 phenylacetylglycine 200337 53698 73443 26650 156305 28482 58137 12708 201261 160101 123099 134461 64892 197884 102791 76322 150377 120739 157173 210986 105256 113278 174857 phenylalanine 5893092864 4463133696 5614918144 4893834752 5718607872 3649493760 5341626880 4431428096 4397232128 5710036992 4920617984 5284083712 5426969088 4130225408 4299929600 5374836736 5274736128 5356293120 5744019968 4567280128 3914857216 4189359360 5379638272 4001903616 4524106752 5275371008 3765054976 5289278464 4503692800 4880042496 4591894016 4786534400 4481848832 5639584256 3832865536 3253571584 4270049280 5148409856 5085186048 3600017152 3566235392 4312436224 4205734400 5189353984 4467533312 5174738944 4991520768 phenylalanylalanine 5895006 368916 1325723 856751 2084576 981855 1380687 440153 1682333 793307 1684603 2248967 253796 628655 758605 1147165 7003573 1211622 1545199 390510 194745 3390868 114895 1717152 2346342 407216 3783971 511476 1550914 6177193 3190097 2816499 3049933 950450 110595 2346986 3419105 7455549 1338947 245357 558968 1378791 870122 1562592 1203487 3009573 phenylalanylglycine 63762516 5393209 13031954 7372084 21350680 521180 8253226 7409912 5571460 17756658 4760084 11262635 11901941 1726959 4328550 9391224 8503209 72051640 15164635 8384840 5866122 1112097 40206632 2215079 9127033 53227128 7088227 37883716 8144007 14516394 74795248 43315216 26302592 38022008 14578078 2462695 35347104 34495444 76287520 10445489 2342373 3756429 13130493 13083386 20365216 19598176 26055312 phenyllactate (PLA) 110924 76343 98025 40208 718521 114235 25611 125242 27332 63693 108114 66149 93207 70199 87783 94153 55546 55857 phenylpyruvate 316574 640061 253787 221932 263561 340966 96864 67304 114694 241522 191034 84467 230767 131951 73301 262696 90479 236848 181550 94010 131293 385749 145729 232635 492408 80194 278872 89974 193922 245926 91462 87421 174901 91399 116837 88258 173721 182327 242261 99310 302535 241297 phosphate 913615872 895506176 912939776 821148608 816530624 1011833728 967019264 1093980544 950281216 918979200 851583680 916664192 988228160 1302377984 772604352 1077498880 773170944 956289536 830041344 928334912 840794752 1182438656 1159093760 691373440 1210142336 1077830656 1165561984 1132357120 1046244608 1043382976 1043585216 1042777728 968424064 1045232768 1164678144 1182138112 977146496 1124239232 1093590016 1012284544 1250903552 1200907776 1062696192 1166307712 1048523520 1062032320 1188977280 phosphoenolpyruvate (PEP) 104481 393089 740416 284659 92404 1048103 838664 2624666 2042763 74973 362530 410486 371384 1765738 1475779 1733239 6161317 406863 145770 446808 1001597 3292055 7569455 555664 2288823 3735390 2425679 2196158 1633207 3049312 2984335 782691 1789054 1220188 6524996 5027425 1796193 1438112 1820514 4889000 5834841 3153053 3130444 1249307 2352911 756108 1942813 phosphoethanolamine 19812600 44766692 22166408 15982243 12932550 12501312 13260689 85166808 47488952 15047575 5216334 9871251 9617923 19773720 8540441 25438818 10053549 35523440 23206622 10489019 91187184 40073724 50351140 24317402 62246764 44287784 13673282 29286488 48211064 39810728 10570388 40576748 18856128 29878616 16254270 13946202 15812728 30468636 16393302 58254840 24926412 23761274 23032120 14224480 18932968 30424568 21043720 phosphopantetheine 58488 83610 84601 104689 147510 414893 446323 113323 253258 132192 1116409 164442 1529984 1457001 1227474 450637 923464 985049 281688 460650 755466 405593 303501 270479 147407 246709 280441 111077 104064 799420 phytosphingosine 11812958 2172076 5412223 4241671 6607440 8067737 10301892 3941705 2967759 13456491 3678823 8773961 6972715 13614900 4599679 3662204 4688306 5201874 9263916 9655722 883395 21925324 5307135 3447252 6365824 11583534 5015933 6904615 4554623 6407293 6788897 4548985 5731503 26100328 4840967 2851268 3775798 10502707 3260921 3218276 6682585 13018958 4353652 6280056 3667540 6786286 18534168 picolite 1227964 3012403 2364692 1403427 934231 2634825 686001 1241360 2499252 980586 750021 819096 1518099 1386898 10354709 2147062 2634153 3014123 504867 852776 618269 1737092 1628416 1351351 1445813 239092 548183 948202 1462554 852278 1243590 740782 1284700 950925 2334108 3251710 1409568 698740 887919 1201269 3460438 5941263 613790 2287890 1831067 1970214 2077631 pimelate (heptanedioate) 155487 176728 240631 145339 264382 324140 434454 198346 127831 225620 373444 143019 246059 109700 478153 207223 278482 133412 260941 209306 485615 520832 678305 315274 411947 810995 395793 534117 350300 345826 520745 429884 364446 555570 183187 451970 386466 450198 360728 320338 236844 363628 pipecolate 88529776 356531648 165355888 251216976 94633200 102862408 107290720 75781432 208633600 110603240 104174568 48566040 76492728 104839552 32184974 66605592 29224476 73145336 79076032 66943596 95229384 121265680 53075820 78083584 129329624 157086704 73516704 93366936 93380352 66742308 90528344 62445144 152618144 153842480 151561712 151577792 47138828 83089808 141955424 40234140 102186296 100154464 67300608 58831960 114274296 72212496 84111736 piperine 348311 21004956 40275 652612 8147725 560736 233223 324978 271122 11675195 143944 214372 6512561 242425 96263 44667704 38574 196417 7348188 543012 220647 26552568 57784 927407 2421843 42103 55415004 1379384 131937 426989 13534173 1733242 pregn steroid monosulfate* 467212 7457748 591499 986525 381459 523922 61917 4117201 476715 251391 200163 3088529 112521 1406122 395985 510826 143077 186798 382063 497258 294788 60474 285250 1103254 pregnen-diol disulfate* 140760 7965922 682813 2182672 410143 374772 48056 195020 7458219 209783 198004 471709 170612 730174 531223 141261 485695 5321653 2152440 340948 1182471 595065 303382 140282 197226 143899 181778 168566 1427445 1123644 180766 50829 259426 122722 103216 180751 40188 364718 983499 170962 216491 206691 629877 pregnenolone sulfate 403623 9180628 829964 939075 446567 246379 2975779 197725 1115901 189694 1457509 231351 278220 447740 pro-hydroxy-pro 17527152 9865743 17218058 21702536 41054100 13429419 10044729 1106214 16934692 16398504 9242281 13758256 9614525 949913 162783632 2313189 102828168 31502098 8855066 10741936 4106397 1202688 45105456 4931092 379186 1449627 281406 1590629 890315 619420 428075 2460017 608321 1208464 3180398 2712621 2511597 1528943 proline 3358594048 3738011392 3594964480 3268596224 3724465152 2475418624 3323273728 3409044992 3012674304 3510642944 3153450240 3250055424 3061358336 3465775360 3420094720 4246784256 4634848256 3121675264 3459350784 2482852096 2148899328 2988673792 3850289152 2401710848 3297242880 4671990784 2997887744 3441517568 3313992192 3193747456 2602344960 3168977920 2873708800 3762061824 2993941760 3282678016 2482741248 3372410112 3603149312 2352376576 3734781184 3288362496 2769122304 4622110720 2933254144 3524810240 3426252800 prolylglutamine 3330846 102588 590244 54207 1562737 245260 318276 569073 102789 736138 600499 138290 375054 483139 7804218 280758 120529 65852 2295261 215381 1022975 175993 1523475 154627 995025 2786765 1342489 1347931 2876720 605563 906706 2574615 1748166 614875 91651 187912 374782 536642 774765 1071081 1509249 prolylglycine 22021080 3652873 13682937 3142104 18492374 1108453 8080039 8532855 2169561 10395217 5895505 11188546 7672630 3898920 11126135 26130376 23038096 61239160 7376121 5202487 2882895 4096331 54282080 1229422 10193984 39928272 15020822 25592932 12415931 20024180 26525526 18454160 18945052 42092864 19238724 5071260 16109242 28633440 28951596 15699903 12867234 7400985 13847783 47449256 26991424 29851556 34439624 propionylcarnitine 145945472 99902168 149002432 114397560 32427516 79597440 76004792 39796932 232516736 63668528 86515344 39970144 96579744 109511760 108432648 137334096 9951595 74422432 213578048 59632140 70648176 17504880 357081856 115857432 225457184 28468276 215834976 2407201280 292474368 56732376 550970432 196893920 1448387200 62663132 125836736 102075400 197505360 115710360 119297632 541320640 110556856 356612480 164606192 145841104 343693280 346148704 86262680 pseudoephedrine 118936 14334580 7000221 32786288 167376 54133572 768356 136759 178440 10437715 291572 146983 322228 119819 92510 152102 261862 153386 130352936 146892 106047 20072198 175454 123900 18071112 pseudouridine 10962913 25113562 12720493 12690422 10935752 11285496 10500358 5240506 42787440 11298857 9585070 9135416 8764940 7571103 4440298 7019878 4913625 7559771 16166257 9132784 10662665 8630101 6706780 8806497 7265147 6316113 4077660 7215750 5758716 8305236 6350600 4256082 3741718 5646750 4422965 5547842 3102554 3345329 6806340 2187148 3344764 10165556 5728046 6715077 4616672 5629603 7955216 pterin 106728 274829 345746 696094 98052 379599 933056 734755 687252 338290 877882 461217 2541635 1159113 1050789 1510101 3328551 1552737 1654413 588443 1173606 2380503 2162620 848223 2727945 1383491 1654928 1658577 1965154 3658492 1804532 1741193 1688308 2432291 835936 2031669 2319216 2546642 putrescine 30340816 77036744 16409943 12275491 10878325 6878207 9386937 1490032 60776316 11792533 10341145 11999039 14839477 2463517 15243636 41158444 22516358 4096450 17153604 8130898 15491643 2061914 34404880 10668769 16378685 236205952 8609213 22146668 7928915 1420267 11843386 5045728 103468472 37770868 80891464 107862104 4384171 11992476 5617113 4268118 49689748 13584056 4323315 8601495 74595424 5919925 42405344 pyridoxal 51581280 38741308 31449244 43251704 25976748 21146090 47071596 30538926 30478388 34845360 33584132 23850748 26793426 30735760 38549336 39722800 29769780 33571792 35343312 30678616 18314376 57550812 44758004 11361448 40641184 92966824 49825440 75055136 58871328 87417736 55690032 50392480 57577464 94159040 57489896 44226148 71418064 57336880 94110608 35907672 37466728 57217352 78205160 53221812 40574672 75390136 83252520 pyridoxal phosphate 192775 160319 187250 350878 816369 274842 767517 109577 741410 567677 263812 669091 239013 441491 733121 528855 437796 476411 402536 808250 345660 468689 568791 773510 479615 402652 254853 441228 337785 pyridoxamine 122669144 73119296 109419000 113286088 98852088 49042820 104914784 17016166 55795212 97442272 133390376 91041232 114272368 20547302 29937512 22846440 40788044 70449032 77239024 103821616 46906020 43686796 12427815 66082440 26804208 27683348 20459700 21969394 20943816 31824142 29256168 19995048 20714976 33957520 25901892 20358176 24176636 20613624 38726728 13539682 27599060 16039068 21106318 26802232 21201758 21765586 27800760 pyridoxamine phosphate 2362823 741167 1848865 2309704 1277832 2102384 2716505 5131204 2300310 2086878 3045609 2596638 2626070 6713555 6671301 4531815 5371453 3660859 2833508 2439083 1525328 5208987 5603106 1874283 4306235 5862064 3535728 6496539 3300981 7945621 10446761 5554824 4982703 5685973 7124648 3918153 6779990 5208649 9164739 3589551 5614072 2942633 5590568 4594270 6561905 4401461 4843131 pyridoxate 10137996 12902232 9860882 8614536 7553323 12873546 6500961 27119960 9866673 5466643 15334007 4666053 7541878 55991696 8622905 15517615 15019260 7001577 4824853 9620069 2519716 35346356 36007648 4801764 20449208 14343650 7169405 11786793 14847050 19192312 6389019 11429049 5484162 9390434 9390095 19902124 8372637 9506964 11240292 7094702 10673712 16285097 14631936 13941026 9254731 6339745 15732352 pyridoxine (Vitamin B6) 374234 490340 418497 387240 371193 362175 361646 81567 268784 282130 714475 393532 454160 326242 2410485 111732 850095 310999 165666 486155 213625 248007 94120 161208 125583 139599 74661 114346 200965 57173 38313 63349 109754 102809 153616 54495 30292 78764 32431 74025 87545 112148 110937 99758 36980 61210 pyroglutamine* 18672352 14249038 29778148 30263864 26045352 26341372 75840096 14135985 37374800 18663926 11848220 231070224 40207348 11587162 67467208 37472936 13340847 265060208 19052864 42497088 30131404 9373421 38918056 156658080 35315024 216798800 213248624 29263720 62885836 30044712 33408502 34927512 32352786 178366144 44389244 46954272 17615560 43140268 42467576 48955560 249954592 27569492 15437006 19665028 42529720 69471960 36676092 pyruvate 3544827 4139961 432261 683964 333884 10091386 228259 675850 335941 144043 115592 45157 338655 821190 317884 285604 275450 569300 520287 278597 103874 951739 270899 937301 4151065 58909 199075 192855 250943 243436 139921 63509 1969030 599834 80051 69943 508280 669211 quite 1339158 95993 2154816 212747 3006227 864861 982173 631002 57212 97908 101365 92797 13946 75204 189913 quinolite 238759 862301 256885 103652 470058 84936 7072543 61605 85729 332337 171875 182680 68191 74324 642407 346443 398253 104484 159032 raffinose 221078784 100092 286514880 40286280 252153152 80927136 237819392 163282 119711736 252733152 187736608 100594592 155131728 170699584 183799920 186828880 179212480 202988880 174021520 131976664 255680288 150450192 89151080 418838848 126714168 175150288 333478144 286711392 231761872 196400448 310352192 retil 7654833 1106845 3799165 5467179 19798306 1983029 10026319 1731909 3331147 20571484 9524115 5143062 4555157 9123997 284092 6094679 2186606 7264183 2289685 596336 16661314 12249826 1141093 3216295 1756353 600127 1212800 4777108 2527554 2056682 1101042 2940540 3781391 1028013 4039387 143407 1965097 4506525 2696154 6185107 1766718 4310153 1022775 2794527 retinol (Vitamin A) 223128592 12345621 98351488 156547936 153894624 42519172 128264456 26609452 25018746 240897040 145194160 78887960 45949056 228283376 199625136 1209825 63211880 36749028 47954944 60168996 1587118 60930400 469523648 9883669 96607688 27245140 2711759 13656110 5529243 149274896 21678212 48791024 15503429 8696412 29547276 10884332 33268772 25722904 5583001 14060806 21264212 153177664 31373328 10877850 44340720 8757845 29232866 ribitol 6601829 3014108 8485050 4304905 6741430 4231521 7751552 3618827 3313952 5972162 6242809 9432072 7912647 4517842 1191526 3002075 478224 3031979 3278483 7323364 5168027 3477131 9587195 3414480 3888934 7505454 5452475 8103255 1728800 9251556 8645477 4302637 4722603 6995144 4370814 3734664 8636319 7569249 4092223 5978437 7593943 4557714 6472594 6271935 5791273 6894619 8726280 riboflavin (Vitamin B2) 13342135 9043185 23071082 25726762 18650408 20866014 29267916 10392396 14404369 25281184 22744950 19536176 26200116 15273652 9347126 13502345 9373854 14831846 16768052 13459047 17194188 23855332 24385690 9676587 11222236 17609620 12445377 16647273 9565553 17770750 13649012 11619007 10172877 19291646 11401577 12629718 9617601 13549734 10130917 7581305 15691477 9273278 13271402 14539712 6849825 13561733 13216992 ribote 55980120 7412802 76591520 49685168 17771898 60665732 101602808 31449870 28451184 34971036 47038932 77840144 135979344 28532550 6871734 29904940 15380778 25754936 14410006 89089656 7587095 51808148 34048920 23848168 32465674 65134260 19896194 18786690 2017767 35754468 40116124 20474466 16657723 47643384 20125572 21446460 46410964 19816448 10626813 72693744 13562532 20231292 35508016 25374484 14878945 59818040 ribose 3346064 1780417 1896273 3179526 3847548 3143725 5871387 5837541 1434671 5376560 2782643 6153073 4174226 7145472 2798786 7006927 4510570 5853124 5643639 5337861 1476464 7707706 20323004 3407056 7995047 16841856 18353474 16883764 4546203 19769646 21561934 9319798 15137107 19738008 16140172 6088881 13835395 16972212 4577265 15318819 18301612 10780581 10341103 22997394 18498964 11262874 19200540 ribulose/xylulose 359061 198186 407557 233018 447390 249655 448377 1054429 710298 431697 378605 703053 476154 435012 157431 472409 357617 660544 439665 373696 381524 1868759 237081 587897 597602 1462275 1268863 463045 856483 1317485 592367 1384183 820452 1010794 540651 1108603 769188 1033104 866614 718681 767466 563398 1500306 1307421 976197 778298 S-1-pyrroline-5-carboxylate 1921795 2485640 1886759 6848039 2892448 5150755 20481812 15912329 3412249 2814282 3484029 5542107 3659451 34904152 39729276 15133945 140416016 2843489 3157562 1804442 1163063 129001312 8608635 1838907 5281445 10256477 3155611 4764040 11944258 5656869 4969941 5222749 2984646 3052751 4583159 8649843 7907886 4328217 4480660 15186705 18670052 7681589 8683809 8918283 4345584 3686568 7446248 S-adenosylhomocysteine (SAH) 4483677 312739 5516314 785391 758855 1018272 4195656 1443584 1440051 1007378 3114567 2588405 4171698 2555002 636012 1911917 2530957 5497044 6799404 4135268 12481038 5854936 10684522 10106448 7846540 6336281 9751232 5821656 1287148 8124494 9774696 12088462 4204726 2644904 4631937 4522061 5721322 4097086 8928509 9443017 S-adenosylmethionine (SAM) 874722 567868 1020921 775659 1063421 354778 247208 1099550 519038 339980 516983 238370 226336 168129 S-carboxymethyl-L-cysteine 783577 1079422 2789442 1691273 1060809 484547 1762615 1903137 1186108 555647 946210 1671134 1419343 13659784 8985153 1643766 3677509 8089047 577443 1217362 1128886 869862 7648719 1026742 1335254 4781314 2987027 77392992 8937502 8727947 14307889 4125956 3231383 1340406 3633739 4206188 3434589 10881545 3815123 2797024 15008503 9211424 7482944 22716416 3513489 3668738 4569789 S-methylcysteine 9285044 11137101 22422316 29023800 19368580 15616919 32978464 15676876 16449099 11272254 18269226 21086748 26624816 5514931 13613781 9619114 4220052 15351359 13333620 27575528 21723502 7728539 16221905 21064392 18303320 13357907 14992110 8679670 32001402 10018137 33698612 34182252 8495969 6782594 39828744 41256448 12257627 23222524 10815981 29354236 22656326 7593229 20092834 10198829 17526756 8321309 6846431 saccharopine 147407 119827 236279 196009 146314 347671 78229 52748 46936 148776 87062 23201 73130 129457 63329 109355 62263 53115 135310 178384 277481 31061 54087 105133 53915 salicylate 131813 76160 206319 106942 91342 118712 155025 178610 86838 88254 213167 104439 88613 111464 98339 46079 69202 57504 205015 74850 226588 170982 126873 151167 192475 204761 278048 261779 233692 226003 136463 446870 246738 296468 119268 123416 171899 salicyluric glucuronide* 13959 38249 43428 41850 51446 55178 27346 79858 23280 46390 58164 27865 38415 38793 30811 30821 33218 sarcosine (N-Methylglycine) 7449336 29994212 19958588 39404452 13646810 3968036 21701778 1775951 11779038 9472794 10342985 4605097 13678408 2093369 1254615 1323934 7233308 3419978 11840259 3194732 4356827 3332325 15880429 17402058 2900057 2064980 17320084 4588819 968535 22771192 13275812 808376 3192052 11258631 27570794 3940145 11182045 2337838 7506269 14150740 6317607 5387920 2850645 7673471 9186061 4743466 sebacate (decanedioate) 798052 350769 505940 437955 233078 598519 451737 855280 873799 418979 496048 315873 488084 684440 618858 391269 344288 874314 327529 807129 273943 538473 600428 323091 606276 515242 280056 1481351 1601897 569520 1002444 568485 651837 555361 728358 611900 882041 692165 743702 391743 322357 686420 1135749 399113 403821 723042 789389 sedoheptulose-7-phosphate 2660091 801994 614564 306231 252971 2913435 557702 1190427 128852 183432 288846 1138649 198185 3359648 273384 2652636 902596 347048 518345 890976 4758906 1947417 7405636 1489864 8212443 4251993 6239207 6552462 7644212 5689433 6507882 2361972 1390034 5461795 5743954 9005452 2339885 596200 2075549 3850990 1304482 1636703 6865271 5282390 serine 1238944384 799513600 1187234560 962427264 1332393856 676786432 1198023168 1412402816 590687808 1244127488 933363712 1107645184 1078339200 1260741376 1173200896 1610990208 1554523264 1324216064 1376065536 815752960 678176000 1029947520 1793433984 630132416 1329811712 1620398336 956339008 1462053504 1315689600 1208932096 1069282560 1184594432 961137664 1575412608 1205126272 1276062848 1109721216 1405998720 1335249920 899346560 1423297664 1185635072 1131904640 1922128640 1202520576 1325102976 1306309632 solanidine 397465 18002916 11077986 53390 1271754 981255 64110 76715 191504 13643298 118957 4410178 58439 8157180 515803 spermidine 19786968 11845848 32338604 10307427 15500156 6693071 11102045 13293102 34171632 21912942 12916385 9521678 14264072 8587233 5381351 11149851 18928924 28774396 20391440 14064316 25678764 6827863 33348252 17542872 17873808 47152032 13938750 17552368 14272174 28100316 32295234 21471472 22137630 46488228 28982632 8923834 19422160 25799572 23622416 15175424 10575175 12055022 14527395 16908960 21230412 18183852 39706408 spermine 984791 488763 4124359 455325 1116811 275215 695045 228228 306273 893557 370899 302804 811262 139527 294349 87989 960650 1406375 883987 937446 487904 301079 917882 453645 231919 234818 262652 1054817 168855 812193 840912 464558 409575 907131 601499 363441 829786 720292 1169116 391732 241117 274537 336842 211864 405221 252708 234499 sphinganine 20793432 18141628 20506200 9639124 15054107 9344865 8080730 5371785 18095028 11630384 15484202 7937696 17303126 12269284 6454068 12238839 6703968 10448526 9140885 12437077 19559026 12830183 9617984 7434753 12484035 15903216 7296770 9707877 17949264 13416514 6514783 7326187 13551178 21339016 10428373 9262093 8675604 15757570 11387843 3916430 22126508 14878606 6436737 17832540 8213334 9644155 14775946 sphingomyelin (d18:1/14:0, d16:1/16:0)* 31679606 19160292 25673458 19255512 18894832 14175748 9964410 9734714 6394035 27886544 9856872 7356027 8535388 12243976 5518626 9618908 7062974 8636817 21519360 18950292 9632854 17796960 24295088 15371968 14600513 9441575 10641216 10308457 5358966 12118231 10140979 7686707 9665702 20254582 10728910 7448166 10164755 11188162 6015515 7098912 11946459 8632614 9863254 10617688 8946012 12010074 15559427 sphingomyelin (d18:1/15:0, d16:1/17:0)* 8958150 6384590 9098152 5875597 4970351 8770572 6041716 9790149 2206462 9544020 5262765 6311063 5895256 8941631 4175582 8425378 4891554 5713081 7422117 7482836 5555759 15043309 6215114 6103587 11815638 7082514 9520974 8131357 5101222 8722080 7328210 6090062 6778845 13855330 8513124 5266045 8566712 7432865 3940380 5539809 9416251 6519017 7088948 8797876 6320743 7330391 10035195 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 8880772 6569016 8700220 5008943 6020863 13677405 8517620 17766822 1735550 8879331 6425608 9811377 10516597 13931494 4545599 18121274 8088563 15963731 6118573 7713524 4856283 23255244 13135452 5763427 22810420 15029572 20624532 16360407 10508880 15105178 13042710 13601699 14883232 21785104 13141563 7559656 16170481 16809314 11218818 8616532 19989608 15411593 16612275 21118172 12272073 17204892 17519192 sphingomyelin (d18:1/18:1, d18:2/18:0) 4344984 7234056 6293398 3815520 4434216 16374319 11244728 10946730 4137725 5476275 1212672 8417389 13678605 9455367 4061979 13529644 9830945 10418162 6824167 3833665 16682263 8290944 5790514 12562327 14607419 6711745 9958139 6877415 4214485 6418525 8169529 10829630 8096093 8337288 7204713 3933205 9045079 12871066 3695576 9070970 16442012 7684066 13113957 17569172 13590793 8971448 10044896 sphingomyelin (d18:1/20:0, d16:1/22:0)* 91959304 58969340 80749416 65961844 72711424 56074616 66106324 59350252 38764300 100211552 39076796 44435860 45153580 47361264 20773230 61215804 28365700 40550032 82501328 66495948 27898264 109461680 87737280 32487216 74961120 87077632 53491536 54401672 30576448 51655752 53945488 44044156 48618980 66253388 48490588 40338752 41125128 55326016 41098800 24092092 61866636 57775688 52464424 79016224 42059400 60343696 74586272 sphingomyelin (d18:1/20:1, d18:2/20:0)* 4235254 4656140 5118000 4535262 4534382 9091122 8670996 7826260 2824100 5298578 1261701 6046077 6778575 5153607 2551734 7455255 4228549 5027622 6763411 4436378 7702171 5782609 4754298 7047042 9946709 7116896 5527939 4669606 3155719 3349921 4831212 6417342 4298564 5166124 4329899 3637477 4756860 6777294 1974145 4946281 7608874 4009445 6390013 9118427 5890463 6040355 7031264 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 23441912 9051037 17390784 18701424 15321263 15917908 18552718 10932894 2007578 28616928 9033046 14074756 12042340 14143227 2730010 12271261 8767728 10837197 21010396 23532042 3768673 36384340 10657170 5702562 11836476 15238022 11801402 13652105 5320943 18821620 18239486 7650324 15360679 23179570 9504190 6423479 13106420 15109487 6270084 8651930 16924694 14374597 14425619 10887048 9968687 14922287 22715706 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 37133456 23361532 36716708 27939448 31366656 38703192 48640404 29069694 17109372 35280784 14393974 27185272 29198738 28392468 13509358 40251872 23633172 21899514 17482906 28685464 17445100 46358672 27994852 20501274 35388232 44770508 29332086 23514276 15938926 22762132 30100220 21154640 21852476 28577278 27334734 21271256 20109276 35825948 9847881 17914958 38555612 25604204 28452364 45165824 31428874 33891240 47851144 sphingomyelin (d18:1/24:1, d18:2/24:0)* 176534112 160386032 141145296 118082624 177981264 141796752 117891448 131744048 223829328 108465976 147611840 96844032 106869272 117401928 66654732 127448464 78009872 75847208 140892736 108752272 98850168 176469040 211653632 81725272 166699184 170263872 139097552 95526824 90986184 72456256 71815344 93809808 78879312 98163648 129265152 121196696 77072480 124285680 57573468 61090756 130892536 130200232 90574088 168984592 101063216 120130608 134435920 sphingomyelin (d18:2/16:0, d18:1/16:1)* 8749967 8794556 11856493 8877766 7777015 12877089 12763455 8781628 7145436 8752916 3234893 6595295 8182239 10273529 5623586 8772118 7319097 4342918 10151306 6144411 13719941 8994455 8203642 11802101 12198188 10645680 9682411 4845784 2652658 6276797 5404067 4034722 4809975 6653356 7825541 6629631 4879452 8269538 3060550 6008804 13143586 4180823 7196578 12669268 9380097 6077350 10765071 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 11622157 6627262 10336369 11424182 9967062 14663427 16264805 10289826 3431509 12463623 7013614 12609408 10922379 13236850 4321786 10776420 7710197 6529550 12715552 12734003 8299158 23198512 9122640 5778235 11840661 16239049 11802469 9861826 6639901 9610028 9849736 6804256 9688285 12041598 11550109 7455905 8997429 13730457 3703964 7977294 15716352 9737293 9474916 11575427 10753108 10997732 17871340 sphingomyelin (d18:2/24:1, d18:1/24:2)* 28482176 25811084 27706956 21100756 35662824 38552640 32031406 27551322 39760076 17900588 22958192 20776324 23589016 26076472 15945850 41734900 13708189 11797517 25732716 18769688 29422632 30834808 37256784 26170776 37156728 38889992 36959220 20700540 15852180 14455140 13638703 14505545 16862832 21755710 28198912 37428732 14360048 29289922 22169784 14688788 23445414 25997548 18446544 34357252 22068692 20754788 32141012 sphingosine 74489320 65800940 110987400 46708392 75898264 61615680 88679920 69504888 139744416 46502508 118978248 79913504 71468792 85026504 98033264 83655784 37572416 67790632 39886396 68217208 26134636 112534776 94622912 31001320 80780176 105443456 88894224 137814400 165214912 76864752 65373848 98570968 68186712 152471872 115125296 100476768 75975680 111746168 91046152 49896160 99133000 114423152 61739696 152291136 101398760 116806728 142515712 stachydrine 13583388 8020694 9950820 1702646 1748823 10793501 366279168 1237898 738370 6845750 76126720 203239056 6345980 27731328 1283595 9473730 798934144 9529237 24502154 39738792 16427672 11337789 10234155 1641697 122680160 15222372 163499776 5677042 3682858 980303 3997599 2111556 9289698 654794 962700 2299948 7059964 1877521 2207761 17468564 3201355 8075004 4314989 16950700 4752365 127448840 stearate (18:0) 7517188096 5234755072 4733390848 5164688896 4845277184 4288141568 4984389632 9748176896 5022294016 9127172096 5444119040 4770236416 4460854272 6930793984 3020860416 8114250240 2564902656 2948459776 5240770048 4105624576 3014619904 6305135104 7712322048 2110461568 6691222016 9467891712 4079365888 12260835328 6452005888 4595172864 9722369024 4657634816 4219241472 11617071104 2837110784 2053358720 4904292864 4761456640 14300339200 2608950272 3276814080 5886600192 5209503744 5478596096 3357337088 5528831488 6555647488 stearidote (18:4n3) 15908074 20914480 26299064 21756466 22951944 14893253 16001717 72697776 10674585 20359964 38559528 11215754 22278840 11033751 7102753 24537440 18036128 29676124 25560416 30752416 12188967 18626414 191656384 8413336 25894572 138874256 26006128 189261952 47703692 31332226 59598028 32571180 80995112 333754432 32187376 16686865 87283816 80303960 1055018304 50425756 19682624 59100368 48119948 30626746 18863252 64047056 75484928 stearoyl ethanolamide 7320920 10907479 8809326 8953184 6822204 9948630 8432840 7072990 14720366 10402829 7230895 9000674 8564673 4173391 5898275 4529462 7353338 7808036 9836943 5914756 5024523 6461355 6225955 7981165 6389164 4588753 3484378 5469753 6205599 4714931 3723739 4469378 4797221 7226617 13005100 7274371 5390743 6353809 6376967 8108185 9130338 13103564 3719366 6133232 4009865 9255134 5874480 stearoyl sphingomyelin (d18:1/18:0) 97623328 99335400 91794352 64839520 85373736 112163584 66717644 143686080 83556776 95728304 40853304 67057732 87260912 96597696 50642120 130139416 54909728 117916704 82053192 64862144 63336776 121702552 155527072 72703848 223594752 98852120 117460064 116757352 80514560 69745664 85801648 132934096 111571768 120774040 87849944 59644752 106395128 101426456 131832576 59162352 122847280 111340128 118579648 182896448 94015760 124340736 88532808 stearoylcarnitine 46660792 17881996 31332598 9839582 7174570 12163999 5208192 8287839 54349472 11696093 5213817 5505695 9536478 16909916 15728152 10663001 9064694 19556284 15680041 4216917 9055416 17436396 27958832 9941512 18105224 12015501 11280296 125682768 26596596 6571343 38782720 27159636 25705510 18034312 8650796 29390120 16901918 13429970 36568584 18465896 12615961 29195606 9965185 23690716 7073555 34406408 19253692 suberate (octanedioate) 2293171 765987 1274403 1193850 805251 1002989 872236 1855345 1678912 1253571 851052 722793 1215599 989059 620525 672704 277136 2318731 488317 1001455 1277975 438586 1672477 853272 1428037 1574909 1160742 2985422 2406593 1771674 2937641 1170940 1532946 1762949 2218227 2669550 1699913 2053112 3207357 681165 1757496 1300762 2468616 1700081 1354259 818217 1396524 suberoyl carnitine 3597562 1660601 6761420 506018 341111 1737396 622184 4314105 1762169 3720533 340752 2343617 31104956 26395276 1406157 1091243 3282730 4140900 1544736 206410 1671674 12902821 3452148 18505756 1336915 3366211 125138432 59569992 1478494 32264864 10366270 6337787 989626 4927420 2092529 14394068 5881572 9504840 18475012 14301670 3713533 22154330 1614791 1256110 13368427 21611040 succite 30476272 17592552 17010556 23275246 20271000 16900056 15989860 22790752 7340952 25312912 16726988 19609766 21379460 10832279 4752114 16921664 3959015 92548208 22247626 21125874 7924670 11223282 32145390 9432279 29678148 34978372 18336944 27413424 11080800 28164862 64737168 25094568 43559232 47053844 24270552 15950690 25019240 32092308 41456268 11113387 16591229 21333528 29590764 13068120 14547437 26580284 23837684 succinimide 743954 385244 327113 325951 223007 403199 250246 727728 173511 672181 217744 262840 618886 616989 183649 574177 161001 1642799 199834 540337 164491 542752 1807368 1945148 1669414 1084397 1349516 1108385 2920933 1049369 1421947 2232194 1576600 1163378 1954951 1432731 2089695 966533 807841 1504616 2137140 2203983 1017685 1177420 2729144 2547723 succinylcarnitine 17346234 2220786 16116626 10710859 14576121 726110 30815310 12770601 1761813 11286860 10748503 17966698 37059956 6900386 2943122 67033244 1186250 321771584 12946426 18074832 3190742 9279308 25971700 2284721 130330376 78711920 78330544 21542930 29002720 54623720 140337232 87478984 107952760 72981328 88659328 44899932 29785226 107417952 74729992 51896080 52521836 44799996 101908536 63317160 70950400 55329664 46951820 sucrose 1227835 3467183 1458212 1167428 6362578 6681941 1120184 4611491 897456 4826648 12633714 10921349 822918 3390047 627475 9156547 1179697 713215 2140466 1503848 988256 8314391 1576807 13951918 3204307 1752263 10917349 4272711 1547884 1690016 1915484 2793391 1960468 1210400 4544298 3275667 15444413 3171537 1954643 3340008 13881477 2706376 3058207 sulfate* 1503494 4940050 1754136 3697380 2620510 5477235 2117786 11816910 9463188 2545045 1677540 1822610 2270021 44774528 16786228 41186304 28386954 1431212 2450848 1885781 2236205 45941900 1513204 3415240 6933726 13244391 28958944 8207358 14277840 12218779 21377652 9585645 16737030 8126283 15750322 21262804 13854282 10110506 8491637 40996680 30813592 25427960 26522644 31469246 37699768 13955246 26370000 tartrote (hydroxymalote) 1486850 492398 519746 1623193 496825 226097 2815865 389875 1288585 716173 618781 519525 211439 737724 1101454 846513 819649 194037 606807 1072001 428081 1013698 885777 844390 86607 652435 1076421 2509035 1329900 280009 396263 539721 914253 1223418 1026211 1130067 699183 347648 taurine 40615600 36001164 24504096 21124492 18709708 19368772 16305741 26084640 30895680 22580932 22392112 17987872 37399352 36789880 8706074 18451660 15541276 43634400 21094232 19101868 36332744 32558690 40774868 26511264 29613170 25586764 31399606 26683958 30040304 25427920 16618099 46982264 23301916 32305878 21777148 20053420 19404418 42235704 33883436 32073908 20032804 24062076 21750504 26693078 31417888 32997764 26034460 taurochenodeoxycholate 39966488 11556588 8217301 13816971 22168540 2395405 19740052 6401324 11942639 60743320 34289480 5506492 21209512 4578885 15461941 15522437 23003460 5377545 48937412 63212916 7981484 11785794 27022106 99999576 23461348 9948101 2621248 16232578 12139229 8630195 31501062 1477893 597922 22362444 5204852 5068889 34505708 70959952 15818512 17543638 5758551 8528907 25081360 13441732 21499242 10645143 5246227 taurocholate 34848680 24978312 4279782 21581120 52352480 1769991 7839749 5035929 14014649 23826648 24071356 3636183 26961796 3941226 7244077 13359462 14443824 3032020 49007904 45494700 16935628 22276448 23346838 89981256 19560644 4223790 1287913 14687195 15724227 4728773 15935898 2628114 158499 17978884 3276648 4267300 19730766 30350300 14205970 15226613 3167236 4932290 18631128 5839941 22313756 5321881 1893120 taurocholete sulfate 1902768 1229699 1405603 343282 312724 281422 137254 966781 2889706 760508 1052323 134294 591130 163938 93257 1034745 326005 1153348 848549 531099 1039191 526990 317538 4407374 359203 2513952 877726 555976 639367 849741 607402 456167 263145 3989316 652758 609919 274072 1039825 60499 479420 1783545 875166 954276 942211 345023 230095 938902 taurodeoxycholate 1183380 6811308 3849197 28132826 2437234 1384631 1641735 3296515 2307560 5147231 2587687 69070 3829352 2999996 3239820 1363073 11675698 2387484 1673592 9608744 702502 6005945 811974 6626429 6485356 3300877 2327777 7820467 3199568 4130676 6967953 2866041 5428862 9153972 4533107 taurolithocholate 202882 568186 595683 208146 210315 154590 565574 101233 796697 913298 140059 922403 251940 158127 387763 628967 600662 413745 148952 253144 2739647 taurolithocholate 3-sulfate 231170 22781 413784 468509 524346 181134 46486 1868515 111392 97004 138963 406550 1437446 513339 79489 36945 43292 175264 128134 62758 350710 215845 1395454 282010 344850 868089 128529 777090 813636 1699926 345796 263252 152810 589268 719503 514030 583163 1118711 215273 300622 1605942 tauroursodeoxycholate 379497 150869 312935 1518296 759537 26114 705106 124324 299820 90373 1442654 184044 280845 128189 257034 125170 304076 64802 466827 6837199 135777 590531 167024 681641 246892 193497 313350 76357 601567 192351 276203 72604 346109 1012753 1399196 178617 1218798 57864 109952 1700560 309203 917171 339433 51287 tetradecanedioate 542241 199206 280647 227859 242720 1531589 347144 5224759 503499 345981 231337 460597 374114 2974101 1438495 1270427 575342 808548 291785 386517 204349 1280243 3300859 255796 1489799 1515205 750097 1455458 1381063 847765 1477897 602828 1059104 1579837 811556 3077969 1907524 929778 2666616 1121327 1482438 1499078 1757593 823413 369581 2248676 2080156 tetrahydrocortisol 2189444 356921 196494 138775 1705976 649621 574884 1019479 217719 911018 818170 547491 9730286 795597 thiamin (Vitamin B1) 13011360 8584063 9472110 6712415 8986353 4093189 12938614 5990452 5842440 8861264 10025879 4389272 9572405 12408824 17317164 7590057 13550916 7297025 6442971 11664718 6424791 10923231 14370015 4328754 8831322 14379305 5738505 10714666 3684077 13473620 10333201 7091523 6535533 8077341 11380395 11580396 8325309 5784709 17665100 6669363 6107300 7148770 15342086 9950455 6902652 13547167 10591766 threote 26821096 15401993 18339976 26418836 14959686 7776961 19831836 23899950 48372616 12090871 28407224 34832356 25451920 13360417 11403777 17707772 7019245 98081552 15884946 28611412 16299077 11131732 91115320 11074325 67738272 109986400 43259336 95006224 53710744 57347268 67813072 140131440 70978920 25752360 106216472 73301520 59109712 96030472 149039776 60784952 35791548 54272728 87476904 75332816 79943272 77808856 54356072 threonine 2547097088 1562056064 2466925056 1854882432 2756874240 1165063808 2369322752 2297984512 1106806016 2422463744 1984526848 2150511616 2239717632 1903494016 1901919488 2625397248 2652300544 2005031168 2572829696 1746802432 1404063232 1673038976 2866930944 1215935616 2034834176 2818400000 1344841856 2477638400 1915498496 1952682112 1917676032 2141822080 1527101184 2648599040 1996449152 2213121536 1625181440 2428186112 2380536320 1322377344 1880374912 1851317248 1761365888 2949214976 1886847744 2173131008 2101328128 threonylphenylalanine 1053311 249194 177308 194699 322560 170407 270333 609324 317124 1074635 203901 217532 199181 547744 64560 338798 72729 767168 412429 1080262 172128 276369 304349 103515 310033 575166 609911 58978 275082 124225 144546 182598 thymine 3448381 2883885 1253625 2009934 3278328 5185812 2990642 3140581 1246667 3170007 2647145 1957560 1918704 2837442 1900014 4579412 8991859 3781600 3951897 1935008 1890790 1327966 6705171 1054711 4938478 6580132 2528873 2624852 3625721 2149619 1182629 3389442 1780735 4082077 1438917 1964483 4172436 1714415 1464578 2119906 1910874 3096576 3350501 6031873 2586820 4617197 5598396 tiglylcarnitine 3004490 2278678 2687986 2215839 1717152 763553 2599746 2526153 2382301 2870591 3848756 1922105 5314701 3450881 6937263 3396909 4118246 1265121 1901003 2822561 513927 1358757 2087066 1453218 6675364 4345322 2012879 11747125 2951649 1214366 2341685 1464925 3497140 2335386 925619 3322780 2626802 6180358 4284672 6281340 3830894 2486959 3822072 5978352 2426826 3703150 3094965 trans-4-hydroxyproline 86450464 136233936 100048048 177813024 147227360 73930304 51513076 18667104 143498992 70675952 33730100 38627288 54713288 20010122 657792448 88547472 740690624 17184876 125893640 35137584 57929996 27943804 71193248 140328256 36626312 72835048 32703382 33085360 35507032 43835848 18337382 30975256 61234164 28230646 63949440 38937860 27398980 25389268 48945596 29082036 92440304 54693900 18243970 107046544 33938836 28300368 37715088 trans-urocate 9096068 22152292 17359060 5629542 8219577 7772983 6251780 13099064 9314252 37917108 5239478 21020872 11509883 7399717 20401688 37933360 6066151 214362672 39608908 3563828 12691004 4060827 409452800 4424794 20820510 2906960 6244128 3987954 89137400 4742611 2174596 2706954 5085347 3691951 10221529 22911226 2892871 4462932 1204627 2235477 15304991 6502407 6925495 64721688 7311416 5607531 5052927 tricarballylate 16207991 143853 80662 229274 783539 652805 137030 345537 139395 380928 1130297 690790 517778 775991 1085165 564245 1821159 1004500 3943432 121852 1922217 642919 728265 1205299 832278 1041244 1466660 1447563 915524 904664 1299624 838422 1151884 1216400 914566 920934 2005183 10929295 tricosanoyl sphingomyelin (d18:1/23:0)* 55904488 34204692 54730788 58478520 46537224 60620856 63495632 50104884 15091946 47160116 41899032 51213744 54684408 53211548 18153144 52904472 38700928 49776660 43785092 57998524 13813992 79086536 51629368 16881888 39514752 70000864 50592376 54954040 24121462 54628704 46503656 38460304 54195860 60575564 40940728 35554776 56237144 66990884 26054112 31930628 79248848 57819020 61550744 57891988 46253364 64418372 61450748 trigonelline (N'-methylnicotite) 677965 2120507 10997807 788566 19057392 10908989 31461706 398688 224797776 949488 1131596 97552040 237594480 1867714 16135377 656126 1862334 11573797 2332698 18012344 7781311 2948397 10366849 864894 1291004 72473832 4188417 12195966 2216631 7746736 5126851 2486370 11759803 18147220 4992243 2061829 3366919 2587835 7645551 4061864 4965423 8920158 1972741 12384702 2752484 7792359 18477752 trimethylamine N-oxide 1209248 5288027 2326137 1374106 3873917 4094173 1594832 776779 4101443 2620862 2149549 5223802 1135053 713621 1452763 1806539 665332 1640545 1961743 1926669 712509 3102961 592017 1740862 619180 28521770 1156397 3532165 1667791 2132231 1571210 649120 2045202 1997488 770689 5056380 6299082 1618514 3887066 2444169 3694718 5023620 6967703 2343789 5208157 11272359 5458561 tryptophan 2496754432 1672331776 2144786432 1823249152 2332987392 946573120 2048626560 1548280704 1625280640 2280791808 1816845568 1949732224 2003372544 1493901824 1259256576 2212249344 2152084736 2885613312 2389592320 1586661120 1420141824 1498032000 3312190720 1431549056 1723338880 2220077568 1281669888 2038358656 1676692224 1786899584 1770596096 1845427584 1665485568 2259201536 1537189248 1481938048 1493736320 2020119936 1938406144 1207120384 1458970624 1547054848 1586035072 2340229120 1698928512 2064539904 1917679104 tryptophan betaine 2206329 246805 559138 2025950 4751991 4563088 61222324 3464714 2857303 5642787 1661104 676742 51862064 46434808 8508239 10706100 10556701 16787278 8873878 7340703 24486116 21054616 1230222 15955620 1984926 8287720 19431802 2329233 22550104 21329392 55827936 15977311 13308382 17866052 5940831 32318070 146082128 tryptophylglycine 669372 73439 380592 49959 234966 91293 52407 204796 250727 38351 96977 127328 80515 35809 240785 186417 56831 194247 175980 139904 43328 104843 40484 287633 22873 100903 367242 153618 267331 230302 66532 137530 265791 244375 54296 16854 51519 109762 93693 182206 239716 tyrosine 824540032 681663552 712994240 722678400 985287040 179780352 859832896 1150450304 606759936 958677568 725401408 815459840 722938496 1069660032 741557248 965358720 1264141312 632548672 1108974208 506779488 677542592 986390080 1217702272 641380544 763813120 1453920384 529757056 930746304 757056384 1246673536 1036050944 1081655808 1092069120 1387300736 970604864 1317373056 935789056 1134391296 1183258496 804486464 905742336 897903168 950272832 1373644800 960531904 895182656 796922752 tyrosylglycine 13214806 10611440 2929698 857986 800910 1662020 1224850 4185570 759296 11032644 1857774 482849 4232230 3209918 4185265 854082 6179911 2409206 2346645 2616625 2298936 3024671 5116583 355518 1076798 1594691 2874026 UDP-galactose 434068 162816 415876 370667 158644 189759 495393 297393 88928 337883 279109 460246 480568 263289 88670 383129 360378 212219 undecanedioate 476260 391902 286865 614888 280584 338166 826078 1127421 358998 286802 343601 586072 677494 318926 593704 658793 451322 1101442 284523 780804 482942 485068 718516 169345 491141 797696 490708 1526401 904618 960421 1293133 968483 1119978 816372 1016324 883917 1129141 1034175 1109577 432569 343078 932862 1256347 454132 442311 578908 1088578 uracil 126224048 118525168 171073856 49699656 99295024 133864720 134565600 293792992 161768176 117389616 159801136 131287696 137488928 337261440 329005888 301656992 195303104 86356224 113775520 157126032 29416902 311842208 263478704 82564432 395386848 371961600 285701664 334281152 409803680 234722208 206796448 270299744 239479488 246890800 289310464 310685152 281139360 279545984 275649408 185020016 284039008 337970208 200331040 442736928 251478656 232612640 319528256 urate 418965056 325040224 471403872 370032736 336084032 411540672 399583328 25201920 478555008 414480736 418170016 444656096 403704576 17153928 2455479 20777958 2284575 441555104 335960000 380132736 226727344 37225852 312787136 266940320 37407492 16354939 6476707 9282868 13817237 7021829 3643297 6779667 10447133 11420077 4422032 2842448 3682536 6211810 4665357 5384922 4276723 7609485 11448832 4975246 5189013 6415254 5170259 urea 53822108 99035720 62458748 71672304 59928964 47305756 62058528 44339352 287650272 53913144 45299080 50308156 46513384 49577128 57665680 75585616 76169592 44099492 56820448 41478932 40337120 56818636 47580820 50781368 57210736 59489336 21681672 69331600 57226660 29528986 26559914 39906608 21616316 53471432 39150404 33819168 29343976 32892148 54023756 26759240 31976312 42223988 34636612 43926464 26655384 38772504 51744432 uridine 57044248 39658136 62929696 51930788 60270180 74810112 91171016 132310648 44024800 65823552 65277212 56141480 52089680 161624368 49055512 83245264 87351504 101523904 88170176 74626696 80383584 116865976 203460144 30821950 112790720 113494536 166402224 238145680 111736992 182304464 199944976 152897824 147680224 198752464 209830144 167273680 126114304 150796672 207055760 133743616 207955616 175542256 138237696 114485296 151037632 187992256 186725120 uridine 2'-monophosphate (2'-UMP)* 108649 220287 128712 33716 16394 46527 315844 50207 52320 42842 63058 61024 88250 111633 126867 62675 52970 49252 131965 47494 57884 34773 62314 71663 55827 41725 30540 18812 68541 uridine 3'-monophosphate (3'-UMP) 496806 640129 279807 534688 175310 95019 600018 1898799 194358 180282 71062 396741 249899 536543 265463 449952 262998 88073 353126 902124 355650 219995 339497 427152 208001 817034 641692 334521 149225 254119 243682 367334 367200 138685 366261 296133 522297 31324 175793 347895 501522 261938 132279 311824 350539 valerylglycine 14972 149762 1320263 119755 448830 540856 652739 782468 186100 2915638 148463 325988 495201 532098 506522 467375 259311 319313 414359 207884 299573 183446 853182 666806 690175 679804 197539 344617 658934 271254 126523 400962 valine 3350991104 2263040000 3590248960 2556973824 3622441728 1595700480 3299502336 2590366208 1915316736 3365064960 2799797248 2898858752 3181913088 2444851712 2705126144 3446526464 3257843712 2951304960 3289919488 2276306944 1712023040 2203016192 3221319168 1745466240 2875607552 3241780224 1953800832 3159154688 2619662848 2454815744 2547432704 2534252288 2179349248 3133536512 2388527872 2173271808 2199030016 2864703488 3024335616 1691063296 2498890240 2510982912 2427602432 3667162880 2444119808 2753287680 3116998144 valylglutamine 3040441 2647132 257366 776489 484490 352972 556737 588986 730714 1328771 349899 200412 1597762 138269 502935 1066771 583023 2136388 150092 261246 1988455 587843 491362 1084887 337251 561315 883925 1104425 207343 169937 310452 482192 488399 valylglycine 25073920 333040 6315487 839301 3967023 2132601 2109337 1859575 4383706 1251545 4259457 7588259 25563208 2039893 5136290 4922898 4663342 672478 1892041 2249129 12657487 3987976 26424706 13967063 7065786 10273678 1365415 5989198 10868462 21109630 2800658 1362030 1852514 1104527 4715224 valylleucine 2849150 1408009 2388016 1335611 1365520 549271 977055 761129 1220950 1404632 1119990 784703 2377863 273358 160295 1043203 371295 1789244 2069104 1126541 2149300 719285 1641306 1411933 559761 825999 263830 1955252 477181 1043699 1643673 613661 714468 926816 337370 159344 678486 836530 1464700 222937 233918 625734 708309 772842 369512 394158 597030 vanillylmandelate (VMA) 208833 485989 327320 368384 455425 1317286 113965 3618100 715947 132352 95082 124278 222638 53362 72290 55276 366038 135389 114286 557088 68361 295733 46915 164262 152042 141396 299396 101667 154075 64265 76638 146468 50282 162081 86642 177685 85982 90752 273101 vecuronium 1184434 9587871 503334 1243662 2250778 377014 5574844 6695335 571403 2672919 1106063 5270547 2897075 3458675 2923785 14700574 145499 19673516 29896708 venlafaxine 23418 51722 126535 216256 212773 786585 369921 201231 458121 475106 34791 1258304 212181 561211 466871 453788 155644 1030122 325351 833821 970184 617881 425751 168754 194525 37123 1242216 466377 269338 318109 511729 1091852 367638 116820 418656 xanthine 7542797 2849358 8067792 3888438 5692868 2146819 25967860 1967025152 18413844 9745221 4963399 5732187 84516448 2318539008 390188480 1190877312 508609024 273775328 3626719 287513536 671037504 1226207232 1875177728 659049 965319744 1020148032 862278016 914329088 884825536 1127653248 917322496 1024093504 719176704 826839488 1092910720 1083042432 773311424 1035778240 887642880 828685184 1127072128 1239648128 1153844992 1375994752 1055341504 867441792 1102296576 xanthosine 34280 87915 45350 504809 5006552 963326 129340 63556 330829 2744280 2393216 4265840 1343105 3640380 2629753 3242211 3568985 12445849 4913490 2740898 2325321 2419138 1649262 3757468 1529228 1653459 1204176 1905334 3159255 2263187 1512704 2631044 2386056 1555164 1934261 3071804 2075359 2005448 2109681 1879983 1884176 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-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-hydroxyphenylacetate C05852 HMDB0000669 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 C00631 HMDB0003391 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 HMDB0000357 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 C03465 HMDB0000491 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 HMDB0000479 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'-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-acetamidophenylglucuronide HMDB0010316 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 HMDB0015507 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 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 C02350 METPA0276 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 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 benzoate C00180 HMDB0001870 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-carotene C02094 HMDB0000561 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 biotin C00120 HMDB0000030 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 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 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 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-glutamylglutamate C05282 HMDB0011737 gamma-Glutamylglutamic acid Yes C10H16N2O7 276.0958 Organic acids Amino acids and peptides Dipeptides gamma-glutamylglutamine C05283 HMDB11738 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 HMDB0011171 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 HMDB11741 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 HMDB0000663 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 C00267 HMDB0003345 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, 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 2-phosphate C02979 HMDB0002520 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 glycohyodeoxycholate glycolithocholate C15557 HMDB0000698 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 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 HMDB0006814 - 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)] C06427 HMDB0001388 - 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 C00711 HMDB0000744 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 maltohexaose C01936 HMDB0012253 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 C06151 HMDB0034220 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-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-desmethylvenlafaxine 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 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) C05607 HMDB0000748 Phenyllactic acid Yes C9H10O3 166.063 Polyketides Phenylpropanoids Phenylpropanoic acids phenylpyruvate C00166 HMDB0000205 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 HMDB0000716 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 quite 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 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 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-galactose C00052 HMDB0000302 UDP-galactose Yes C15H24N2O17P2 566.055 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 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