metabolite_name Mouse 1 Mouse 2 Mouse 3 Mouse 4 Mouse 5 Mouse 6 Mouse 7 Mouse 8 Mouse 9 Mouse 10 Mouse 11 Mouse 12 Mouse 13 Mouse 14 Mouse 15 Mouse 16 Mouse 17 Mouse 18 Mouse 19 Mouse 20 Mouse 21 Mouse 22 Mouse 23 Mouse 24 Mouse 25 Mouse 26 Mouse 27 Mouse 28 Mouse 29 Mouse 30 Mouse 31 Mouse 32 2,3-dihydroxyisovalerate 1557514 1485009 2705065 1993506 19844924 2573964 2153420 3708091 2167152 2285166 1991632 1754550 1408892 2109548 2386401 2352426 1476382 1285841 1608833 1578788 1962097 1604260 1794866 2148173 1845909 2005316 2043786 2071722 1031116 1439128 1285840 1419359 2-hydroxyadipate 2421649 2271322 6965000 3002369 4557668 3820795 3369251 4707778 3559652 2642769 1828913 2891505 3118356 4258291 3564193 4461932 1780212 3034194 2402321 3140663 3093545 2070818 3124428 2165243 7173691 2474507 2212596 3761148 1640284 2276063 5953378 2098896 2-hydroxyphenylacetate 1963875 2045437 2751632 2794097 3385026 2833726 2376442 2672661 3198891 2823844 2876476 2676687 2661272 5176923 4103282 3349469 2649957 2623200 2502622 2264801 2501364 2206447 1888789 2053157 2472323 2392611 3744634 2414772 2305850 2600339 2609110 2871323 2-isopropylmalate 2057136 608959 1049483 1904889 8814704 1860124 2758301 5021747 369540 386282 363062 236769 944838 1742663 419452 929791 512068 353204 220366 253624 810707 1679129 903113 609236 817124 1390004 2-oxoadipate 3479301 4596155 6094656 5822324 9224504 5005266 3717594 7285293 6758008 6569427 4834549 5401265 10209309 12557037 10889636 11246251 4780058 6676404 7320113 8702461 9416920 6730189 8493414 8021170 5292837 7418241 9376059 7481482 5069095 5782547 4648458 7276921 3-hydroxy-2-ethylpropionate 1934403 2253262 3027146 2762802 2485186 2181077 2381854 3110054 2475300 2118586 2215870 2417611 2530071 2705364 2757028 2436344 2049888 1987776 2121253 2083572 1603558 2385939 2263152 2594427 2171628 2032533 2523831 1737593 1821532 1893403 1989478 2586758 3-hydroxy-3-methylglutarate 38628784 35608936 40032580 37871044 72779024 41470556 46902992 59179272 50251732 38986400 28161734 51116100 48965272 63830080 58656596 62171916 48715784 44259108 55853048 40204344 46623040 38998636 37915796 40352720 29452830 33755100 37553756 71730736 25480546 28379988 26715900 31498528 3-hydroxybutyrate (BHBA) 163168848 126607792 172093376 158747904 102174048 139054080 150900880 120769936 85245864 118504336 70318552 141914816 114022488 100603184 77159808 114513928 308929952 137283184 236110304 112631088 100873008 183004208 175836992 247717232 166091488 203296320 76348576 93554672 99713584 196408912 129646304 98870408 3-hydroxyisobutyrate 48593204 50613592 77267872 67238160 74136760 77774184 72932232 108533048 74530304 63065664 44584916 62066488 76122728 98291272 88488056 111839824 68692016 73894960 57258992 71339328 41886756 59002912 57773232 61611656 46432200 60317296 75305848 73510752 46738228 60129024 59011564 70802304 3-methyladipate 511815 457723 345749 674953 531297 265042 425588 347775 346167 472695 161423 272542 299625 598514 202841 253095 378030 741512 626821 608211 686205 398609 936844 593353 245601 620723 237862 163818 167877 496446 365727 551494 3-methylglutaconate 3081306 3880751 4952441 3276042 4391885 4131752 4742151 6204973 3067096 4478302 3700084 2180245 6075375 3608441 5183166 4383006 4287013 6176329 3649678 5381109 3733346 8247708 2358923 2214505 9873140 2090138 6485089 4334117 4543221 3738989 6157336 6627846 allantoic acid 143699 99605 218461 230859 248673 251136 217303 316849 210557 201628 166407 167311 168781 336894 291916 241628 184493 166892 142477 160002 93971 159491 169539 192541 142985 153636 262561 212747 184219 178594 148781 265412 allantoin 80458880 68401008 112920504 108019112 126896744 127792808 121147456 135221808 92007728 83174032 64150928 86355968 68178768 124212352 83567624 95841504 93847872 89672040 73425736 82970736 58265424 74904216 89522536 99177848 75550224 84379856 110356384 78527808 94997776 64428676 69451352 94182744 alpha-ketobutyrate 950928 1190685 1002532 539396 686184 549938 899055 629585 633313 526215 753730 1382162 602032 809312 1121699 1134529 324536 828778 522024 306304 alpha-ketoglutarate 131809240 162631840 295784576 225349136 490017408 182181040 127885504 384683744 386653024 306534848 137831168 195910336 362347424 687576320 691752896 615247936 91426440 152046304 211764272 224613360 469764896 231478720 238549440 245636032 181649328 173747120 461273792 198811520 255696656 192598320 215250128 336872224 asparagine 15872413 22602808 20589456 19651120 23155418 29663470 27543024 21552564 26814328 35454472 26997312 28941708 23386946 33775580 25887636 32306934 28768284 35989944 34265264 31646336 37542828 30750548 34031792 31259462 26703008 40870380 39782056 43400800 36663956 33712552 35117712 40622252 aspartate 13682766 13791498 12591953 14794482 14789028 19786020 19539836 18970540 24518484 20749520 21334462 20494384 21326256 15386356 18889644 23748928 17950730 25495444 19304990 18274292 12247102 6512160 5011519 4734350 13599819 12725455 8454285 15598906 14199203 11464564 8605502 9471248 chiro-inositol 1813064 1637136 5870568 2148472 3610565 3876547 2224701 3350727 2436061 960878 1493925 1430231 1795837 2044727 5190133 5750276 3187687 511258 1836458 738915 1202459 712494 1159317 895012 1925959 5785770 1606813 1088794 2342899 1869016 choline phosphate 939894 1894747 802944 1774114 820160 1997913 1601399 1193312 2096116 1838075 1722254 1841379 2983671 1046421 1069073 1941814 980183 1952821 1157683 1449102 1824898 1102421 1181767 1048676 1409652 1716492 811713 2362882 575931 1390664 1377964 841654 creatine phosphate 1362747 1773840 854261 845707 1036623 1394868 1405246 1303494 888895 1305822 1064923 1421400 1480062 1238547 1102646 899226 1021940 1327778 1206945 1329017 1379011 1102391 1341129 1271145 1475030 1538006 1273804 787024 958477 1046757 1242026 1424660 dimethylmalonic acid 183207 291707 254102 430695 319313 237680 386498 242437 304654 483574 233204 397310 455798 495126 306724 171493 171793 333717 148937 359619 293763 402000 297138 erythronate* 47266292 60907344 79998696 70811008 93694304 71260688 85500096 79754664 73290776 71715960 70444544 64761824 62675748 91100448 100407976 96701272 56967952 61593396 64842856 62586304 66956212 55155112 55711444 59379400 64388320 67143832 68221512 56131796 44621296 48715908 56270424 54352588 ethylmalonate 24826498 26258940 32907918 32743162 26458548 24482632 27278000 25326788 20743232 26763296 24226220 20632200 21787584 23486868 20121176 18430196 30537388 24424118 34668080 32003446 37886888 33944424 32555268 38987176 25434908 32253226 24020220 11822495 26317014 25648412 21783338 32523032 fructose 3348742 3111465 4383820 4605877 4786169 3168907 4364340 4723710 4297834 4554942 3914623 4001844 4758354 4143268 4235599 3877210 5499397 4993202 5763881 5276697 4607100 3770790 4886875 4481304 4240750 4520838 3815089 4387778 3659922 4572056 3080908 3779937 fumarate 23564632 21888636 33125558 33311628 47243028 39269228 34469792 56008228 56282192 41074676 21599168 28451950 44063112 56832336 50371496 59806928 17205378 24276032 27546946 33777772 48468900 22421392 22163018 23904208 17356382 19791880 31998692 31782314 21010480 20015488 19709536 26737616 galactonate 11870078 14957007 13939413 13546720 19893332 22126812 22557848 19708704 16277656 10530409 11165767 14996023 14680122 18900500 24473828 38136664 11053706 16461231 10844579 8300657 8806497 9268815 11024959 9356295 9427593 11740625 12026401 16510918 6867262 7141016 10443003 9948622 gluconate 1625894 634351 1025707 1576141 1279578 1081617 1059871 1346221 3045444 1465402 780892 2170230 13490901 722360 1283501 376513 523344 1107676 475672 1010920 690931 435549 648162 1031044 glucose 2173627392 2015907200 2809564672 2852706048 2736877312 2085317632 2602486016 2561681664 2136486656 2241086464 1796770944 2127825280 2574296832 1670426112 1784490624 1868760576 2514706176 2593606400 2511190528 2687901696 2572609024 2912032000 3297373952 3108789504 2566509056 2575698176 2459771648 2599531776 2386035200 2696989184 2398418176 2526200064 glucuronate 17853108 18011142 25565642 27379256 28836822 22477912 27167788 24717704 14788972 18568496 11479359 15823385 24115400 22790426 17313894 25922232 18466106 24418408 22441154 23212912 20464822 18408324 21939592 20813596 17096428 17638250 15648321 28920846 13637569 17757428 17074460 16765660 glutarate (pentanedioate) 6443070 5546109 7500864 8730132 7669933 8487781 6554895 8683322 7300563 9131203 5593019 5525360 10691465 8243176 8602369 10080984 4478895 6350751 8545102 9304491 11607163 6003447 5622231 5116316 5743219 6487690 5248788 10102146 5421873 4889906 5102682 5552032 glycerate 21730780 24562080 27392940 23849356 27558048 27909846 28064428 28141912 28211808 25446844 20881016 23508088 26037276 29470772 27341068 31977998 25439964 31967238 25747796 29595406 37675272 34582956 37939408 35555224 27568772 36511216 25330116 22132220 23937656 31480272 31214252 32946116 glycerol 3-phosphate 9108415 10617042 11246988 13611612 12266899 13541069 14778078 12947462 13677024 10915208 8395523 12407478 16485848 12393292 10267866 17291378 7164986 8724469 6969567 9112559 11004856 7287041 6445404 5347807 8868586 10145658 6591160 14382685 5599279 7337397 7558598 8803707 glycerophosphoethanolamine 1148893 1638476 1453112 1715824 1381269 1511177 1314305 1284407 1825633 1936466 1136455 1735935 2493665 1538301 1607512 2353099 1259396 1316003 1491930 1324098 1295230 1057706 776364 794779 1464319 1585044 1143998 2374097 1215827 1162694 1222403 1185013 glycerophosphoglycerol 4274873 6228686 9351902 8617099 8802341 12416531 10914964 7903444 5671211 5282195 4438593 5351450 6794829 4970006 5064353 8444845 2400930 4334826 3425808 3976980 4561692 3626704 3515091 3799278 3957064 4804118 2997218 5328093 2149528 3116074 3454527 3946594 glycerophosphoinositol* 374789 455489 567724 555289 627166 581880 822691 615894 678908 651472 558539 665669 556888 736004 481373 709083 599630 550346 645686 705976 590913 452671 485618 470137 526074 598234 466601 588466 371811 434246 416326 411489 guanidinoacetate 313361 277546 259194 263055 402290 223645 279967 279347 405720 452359 356377 366573 422055 377406 372944 550016 234276 252089 214977 114621 335033 158378 228672 173342 202299 267482 215871 435211 276158 312302 325948 331466 gulonic acid* 101767848 127109888 159852608 127394376 227595088 131359120 184266832 171764160 68539576 41894792 28125630 52253460 56095888 86286384 49738640 73460576 123542608 132072744 111865248 104722616 85941144 93678496 112987808 84050280 47780704 69502784 55769160 90951768 37045884 45423588 56094600 51165944 hypotaurine 791731 852452 1098469 1043780 1395649 1188773 1041938 1266704 638530 860184 356601 756563 662832 752617 524836 633798 365185 601697 594203 800432 499111 243250 356412 165819 299535 399866 380050 573674 316112 253238 295147 228376 lactate 5981242880 5840576000 5762089472 6108185088 5051748352 6658844160 6825769984 5552002560 6357886976 7301005312 6047777280 5880275456 7335823360 4529714176 4146690304 5950379520 5519732736 7118275584 6347181056 7461728256 7517430784 5623266304 5942475776 4642762240 6224045568 5994277888 4338814464 6957054976 4561835520 5718262784 5945486848 4479350784 malate 732060672 666023744 1114942592 977664448 1705675136 1222177152 1239844224 1799269376 1789854720 1395173632 637768768 1052499456 1339513728 2088020352 1620426880 2194495488 614896896 800373056 1016892800 1072011200 1790228992 745732992 831718528 893788800 613494592 805502080 1182981120 1358416384 712008640 796096064 704761600 964337344 malonate 69255880 60744004 116791584 68326960 95180992 68896400 75365920 102324336 81953888 83060000 57026848 80593608 59390760 132725712 108982464 95810680 84676464 63247784 65476580 56975508 59442316 49438724 63153416 70338632 63313940 73542432 110939944 70253240 80742288 75018800 61824740 104326904 mannose 14586638 14145738 17450192 16649060 13947399 11348218 16080929 11451492 12433617 14738883 11716693 12092046 12131379 8663744 6278898 7588255 25458288 16562270 21656578 19281180 15376895 21036280 23757824 24359448 20037976 22296580 16380328 11708884 17261464 20364820 16276916 14529875 methylsuccinate 2548748 2744651 4080290 4948219 4257252 6522834 6633545 4855558 4808405 4106635 2247917 2215973 3115900 3260041 2292000 2811283 2258028 3643680 2976503 3293412 5972106 4300310 2970150 2871363 1619142 1875451 2472842 4784474 2189788 2188520 2160797 3220974 mevalonate 1476550 2004436 2239017 2187877 3153912 2269888 1806770 2430011 1790168 1780234 1635726 1973617 2177620 2902243 3921594 2958797 2044854 1842566 1313814 1222762 1670076 1975142 1515433 2153927 1336269 1222460 2810354 1913720 1694850 1292501 1508983 2287515 myo-inositol 26496886 28934992 31090784 30314166 31665662 35937528 41705628 42293188 45176316 44586228 34886600 46043652 49383628 70133952 42230492 60050336 32963836 42577472 42953312 37631904 41807352 31834108 44125844 41514368 36584252 50164812 29515756 51749452 31070900 36812780 36325876 45961736 N-acetylalanine 11532321 13251712 14615870 14569048 19809604 14724743 14398854 19422118 16174010 13404034 12588007 14346867 13231207 22778260 18659388 20962032 12496422 15763510 13384181 13272394 11189336 11101261 12956788 11579518 10850270 12241472 16820612 14153606 9973065 9836060 12491673 12754366 N-acetylaspartate (NAA) 8542540 12464553 11028978 14640910 11411874 17172720 11539609 17586064 23583938 17371880 16550010 14628338 20713880 18902862 19256298 13566876 14833421 24120198 17996684 22386368 17531060 21640582 21110322 20356624 20560186 23602320 31395128 14831018 21107042 18741766 20463232 24913672 N-acetylglycine 18867920 19235780 26677770 19985648 22539476 19393168 17698532 19212048 12795643 16900618 11373222 13766800 18431032 19726112 18554364 14110036 54125064 19805224 80451128 44135592 25120752 40183728 46390808 65067256 33742908 75587328 22069476 14061675 23051548 36366036 22881318 22686920 N-acetylneuraminate 421732 449017 465840 487775 634264 534317 583601 628520 556133 654970 472357 544219 611382 777758 612990 736914 557854 626019 567502 587587 541958 413205 494499 455452 526193 611851 626531 748798 453144 440351 435118 535898 N-acetylserine 17423470 17926752 25056754 22615848 35425764 27776228 25871108 36634964 24323380 19765772 15706588 21737056 17702528 32570822 27355240 30105440 19970008 22758580 20002056 21129708 15947710 16784200 21488810 19281604 14901554 19486476 22161376 22291940 19531112 18117746 19543430 24770540 N-carbamoylaspartate 133879 374394 284970 386198 407338 444852 275306 683331 513210 345864 513960 284493 463891 373433 642515 436573 263050 591095 371689 586561 217121 254791 174804 131528 543313 158433 637503 362934 522601 194465 381595 559866 N-glycolylneuraminate 843576 1036208 720033 770456 708750 823822 1173735 562558 969770 852465 790730 1118267 1332177 1018044 575941 792668 1162427 1677351 1460866 1581511 1282526 1004789 1407063 1285955 1044991 1667716 812727 1017233 612568 658435 783940 702258 N-palmitoyl-sphingosine 103086 204493 177745 179323 205208 151380 153763 281124 249312 297533 164026 236168 156453 207387 93060 107820 129229 oleoyl-linoleoyl-glycerophosphocholine (1) 10009138 8008348 11396440 11466176 10178095 12558465 11292190 11778091 10982534 11982791 13702752 10270353 13064639 11096114 13283650 12616363 10082489 9690620 8353209 9097480 10681457 9700718 10302186 9236403 10831899 11474421 9871215 11631556 11515776 11406175 12161144 10975236 oleoyl-linoleoyl-glycerophosphocholine (2) 3980179 4548014 5674992 6200065 4585109 5166709 4818201 5197833 5116814 5729650 7176889 4894074 7095544 5257417 6730208 6611592 4425047 4792436 3863463 4370559 5136621 4810365 4404072 3986812 5268624 3821447 3581984 5838129 4857986 5318298 6014616 5564362 oleoyl-linoleoyl-glycerophosphoinositol (1) 1329333 1968101 1975444 1709254 1738099 1647637 1658405 1805344 1774106 1819877 1759356 1662668 1778081 1538509 1889294 1613217 1015839 1032671 1132508 1231159 1111385 1463144 1125478 1152848 1484346 1209172 1372877 903905 1400461 1571255 1459554 1494936 orotate 33782032 42360016 46064484 39223672 53737860 44322900 43261968 48167640 34994788 43760660 59223340 40552976 39311592 43918500 52752980 53873544 40621536 44829096 39853236 48580936 37062448 36902248 36816764 35402612 41933744 36345180 44452220 30468792 41373232 41902816 30100304 44607272 orotidine 1637756 1945236 2339033 2376837 2255777 2941367 3116701 2484559 3104092 3275214 2719615 2643343 3160760 2470596 2500088 2675748 2272351 2186569 2666111 2583844 2063653 1625492 1645046 1044965 2525272 2374747 1781711 2241782 1839478 1956957 1576793 1239009 palmitoyl sphingomyelin (d18:1/16:0) 3934395 4356152 4449486 5094971 4046173 4289525 4259279 4495230 5670113 5810082 6793772 5553692 7121065 5935396 6092224 5890479 4947825 5398056 5292168 5205029 4765700 6003841 4738005 4933558 6012068 4538460 5549810 6003187 6321412 5328835 6207639 5960053 palmitoyl-arachidonoyl-glycerophosphocholine (1)* 4316961 5782341 6611136 7016833 5189960 5607590 5769038 5942279 5932294 6458165 7253986 5614043 7238046 5444351 6879174 6991510 6047013 6463268 6290682 6463490 7773108 7511752 6909699 6772823 7693225 6387783 5137171 6630458 6357028 7362322 7158754 7876671 palmitoyl-arachidonoyl-glycerophosphocholine (2)* 13056864 12599308 15645748 15133259 12973981 15383101 16077743 14386852 14439333 16536199 15908036 14629330 14937957 12262950 14949248 14750873 16783728 14732505 16398521 17071252 18090344 16935444 18753298 18855328 18036020 19670876 15495115 15796478 17737060 19253856 15870179 17185928 palmitoyl-linoleoyl-glycerophosphocholine (1)* 32497800 36823068 40109016 40195308 38624240 37914944 38348848 39294444 38854080 32343054 34230376 36785880 45814152 37329224 44166764 44253096 28916412 35386080 28355604 30634740 37939424 35068560 32520012 30342280 31809944 29100648 25572308 38336596 31299936 32030580 36926644 37572864 palmitoyl-linoleoyl-glycerophosphocholine (2)* 56025516 43703444 56532772 52939532 55539160 62900376 57910176 62171088 54084608 50821136 45029228 52581604 62317864 51946012 60674704 59915984 44266256 47998624 44112644 45140320 51938808 47386976 51193924 47344144 42645132 48949736 44639520 53283044 48284312 47207368 47594356 51033624 palmitoyl-linoleoyl-glycerophosphoinositol (1)* 2379637 3009657 3079542 2954882 2974360 3017092 2637847 2983928 3521148 2966257 2685441 3223755 4061259 3250019 3972408 3707247 1252665 1668574 1340992 1409753 1737172 2205318 1559270 1585987 2108981 1558398 1919284 1736782 2024524 2172800 2195408 2474541 palmitoyl-oleoyl-glycerophosphocholine (1)* 9414689 16271549 15252148 14232242 15029048 11339247 13190228 11745513 10816333 10894839 10199552 11340734 12397680 9753712 10856868 10369275 9018586 9300289 9632554 9677500 10434796 11192993 10621307 9386905 10175589 9520535 7952730 10640450 8962151 9009553 10322740 10457479 palmitoyl-oleoyl-glycerophosphoglycerol (2) 2805534 1916444 2667933 2548855 2520528 2660636 2921034 2455008 3760315 4260613 3492358 3580907 4974864 3388928 3411173 3559043 2225091 3115098 2036112 1768449 2322596 2627513 2041689 1928187 2829228 2464846 2313474 3607462 2706886 3101168 2792785 2857768 palmitoyl-palmitoyl-glycerophosphocholine (1)* 624717 677152 764539 755139 759666 634977 552197 647483 831450 756011 876199 602747 812457 589429 684524 694606 695953 669144 662910 746746 667221 687632 678276 637842 665659 654716 540829 873303 677248 585406 738605 697548 palmitoyl-palmitoyl-glycerophosphocholine (2)* 642970 491614 701333 538047 673924 634153 593887 465507 762268 726835 786774 583747 700874 510011 654691 740602 639769 708760 635491 687693 669540 645461 829707 596553 634738 698604 659663 770285 744603 664664 715431 671967 pimelate (heptanedioate) 16290688 14621982 19952784 27697146 21238278 13787833 14994311 18918004 24449024 30103610 18725672 21617862 20606058 19953008 16275176 14521158 17982432 13513288 26556218 20038432 17026054 10347476 9595352 8746857 13144056 12314890 11566584 9273358 10774223 10226843 8525008 8734542 quinate 84809 64673 155091 348462 205502 245081 341575 306261 1143724 2189989 64204 61635 538214 74895 343507 162490 148440 110726 251728 quinolinate 85274 446863 659111 486452 798137 692146 645984 1112515 372484 523442 336430 490550 471805 738241 620600 713245 743133 863915 780812 813226 891030 909418 854819 1076548 423325 476472 903224 628787 176328 448819 618849 727157 ribitol 343443 381375 557868 557916 734671 594410 581339 569402 745340 783248 758231 641533 664706 705966 666231 754515 611151 529291 778350 718171 573064 354028 494543 390664 486270 497870 308825 634490 351744 396573 457907 377555 ribonate 24175248 20922736 28715294 27043316 30529674 22872840 27807694 30759160 23851944 26712064 20335356 25166692 30415690 33187010 37338120 34973496 23665720 30280746 24293392 28258612 26191022 29025790 33408610 29253190 24185112 27657048 33298832 28928880 25010270 28500910 23165778 30121704 ribose 4748374 5028248 3300813 5056325 3116550 3254860 3953661 3231635 4383084 3486231 8922594 8651761 3785045 5229072 5902704 2508000 9237861 4133991 5393232 1488465 1418539 1070131 1865729 2988152 4964479 2734895 3044656 813635 1400445 1029504 776433 1470822 sphingomyelin (d18:1/14:0, d16:1/16:0)* 116336 206836 127035 96076 139042 153251 251905 155878 186616 135016 154136 173601 90266 119014 87530 sphingomyelin (d18:1/18:1, d18:2/18:0) 101841 85515 96323 129229 159616 104421 105580 73147 126304 97992 138188 117143 159595 160239 129292 140618 157704 173063 139441 157338 119875 145295 103237 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 318086 339254 464407 443726 293326 357132 368279 336461 520470 524591 257011 492746 266906 325301 302250 588442 406234 686317 500841 629729 675002 645743 595722 649493 707420 628611 517672 494357 603541 460045 597288 sphingomyelin (d18:1/24:1, d18:2/24:0)* 1067687 787989 968874 1058695 1023764 912715 1116715 1073081 1128615 1281726 1495260 942577 1000382 903218 852447 1138748 1924451 1660686 1998081 1879727 1554247 1702121 2063595 1719098 1368819 1724055 1304553 1493250 1509967 1623369 1591653 1352740 sphingomyelin (d18:2/16:0, d18:1/16:1)* 1093548 1273456 1316191 1465725 1109145 1182564 1199685 1146492 1558957 1470929 1588385 1264152 1816648 1421977 1543855 1290653 1502302 1379005 1496156 1545181 1576262 1951315 1388680 1465022 1584305 1307278 1546646 1492936 1619469 1403899 1504020 1532334 sphingosine 1-phosphate 2859925 2812381 2978892 3253484 3427084 3435856 3737446 3800562 4304964 3421114 4928833 3659258 4467308 4283984 3852028 4031206 3543336 3697750 3353929 3722439 3368992 2603349 2216167 1275062 3229493 3592075 3309667 2680217 3402143 3076921 2659963 1856461 stearoyl sphingomyelin (d18:1/18:0) 110664 138521 150871 90438 116922 138057 200379 254394 233254 192411 134956 217998 217157 116813 256040 194782 165739 192674 192369 178678 236831 210980 263128 208939 282551 205049 312516 229368 stearoyl-arachidonoyl-glycerophosphocholine (1)* 1224195 2167654 2116333 3446302 1877836 1896621 1910473 1507767 2270222 4333201 5309200 2609514 4426516 2121633 2758577 3041778 2795877 3582804 3334356 3607409 3327505 3868887 2565478 2748458 5205459 2186433 2226331 3787185 3598819 3092840 3894368 3776915 stearoyl-arachidonoyl-glycerophosphocholine (2)* 9166759 8066690 7409999 9285842 6437564 8844175 10357584 6192831 9756079 15356141 14976633 11735960 11901725 8302858 7946839 10640741 14927844 10340772 12446008 12963886 13259999 12067657 14387995 12854338 15301519 17331204 13345718 12163173 14029245 15406260 11943859 9906084 stearoyl-arachidonoyl-glycerophosphoethanolamine (1)* 4045182 4789090 3635164 4796272 4248587 4179359 4571974 3889649 3603281 3335430 4231844 3953028 4746204 4616105 3982023 4617569 6476405 4164522 5387342 6308999 7707428 6924945 7887071 7192704 5496402 6530227 4993981 4611207 5245406 6618850 6040524 6603518 stearoyl-arachidonoyl-glycerophosphoinositol (1)* 12787464 16364365 16224650 15978489 14065752 12521947 14911817 14362908 18500352 19473292 19255946 17379900 17177336 13051596 13984528 15378733 17951808 13387935 20203786 20177842 17613492 21797924 20215170 20168760 21709524 22070052 17852730 12176067 17032408 19823798 18922360 21860408 stearoyl-arachidonoyl-glycerophosphoinositol (2) 1113689 85374 890477 1002953 1171506 1242518 1222686 1306800 824864 1220643 662410 601983 700423 745582 948706 1635152 630754 796693 1063853 1104124 725126 2435249 1380493 1426202 2198345 1799503 1570644 1653648 949419 763355 1824257 stearoyl-linoleoyl-glycerophosphocholine (1)* 36677276 27341750 36154096 36584944 33440886 40639288 36420512 40609588 41769132 43134416 42770496 40085720 53427624 40817988 50533612 50920140 30746284 30288650 27444040 25556792 28733624 26951680 28987120 24493780 29504372 31390556 31172168 41527668 34594904 29518432 32531732 34819708 stearoyl-linoleoyl-glycerophosphocholine (2)* 15046041 16446300 17999956 20907976 16229870 16742897 16324989 18028156 19846552 21515236 23152378 19093188 30860096 20215272 26086700 27406034 12997406 14153658 12640682 9813257 15501171 14129853 13655789 11161554 14373652 12209077 12112176 20587260 14728467 13840507 18031256 18332116 stearoyl-linoleoyl-glycerophosphoethanolamine (1)* 3931578 3373884 3198230 3542415 4717606 5217658 3858184 5316389 4025320 2652476 2977911 3693973 6209633 4629895 6125507 6277722 2706331 3059390 2483824 2596924 4099564 3908453 3466065 2924727 2555716 2578172 2690057 3638390 3342324 2972391 4106280 3915774 sucrose 650552 196741 342146 327218 168604 227832 91205 93945 173081 520418 490935 458854 456667 181582 234541 217620 211016 193097 116125 63012 182587 356949 120578 92905 113492 266444 taurine 303005728 328732928 338342464 365266912 287297408 405648672 376364224 322837024 401622336 412533984 339787904 354721536 465033984 349664320 316115072 349894272 351575808 386631104 374829504 409992000 354980544 272918016 237093984 222111856 394536576 401024864 274682368 324984992 320382912 321513088 285998176 249936368 threonate 153657424 207132416 221247984 258457904 229588192 265353600 278779776 264665440 261824368 285123424 222139808 220133760 340096224 309402784 260208816 346459264 306359328 256138480 378707360 301547648 345205792 284241632 328065184 322440480 322909984 409489760 228580960 386363040 211329280 280089920 233990544 241328688 uridine 5'-monophosphate (UMP) 73368 78951 329674 196193 125978 318444 323201 62916 75568 693792 572436 491480 1089294 816828 481620 581968 510123 1077619 822582 1831769 715482 930802 928369 524253 metabolite_name SUPER_PATHWAY SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID retention index MASS CAS PubChem ID CHEMSPIDER KEGG ID 2,3-dihydroxyisovalerate Xenobiotics Food Component/Plant 38276 LC/MS Polar 100002417 1050 133.05063 1756-18-9 677 657 C04039 2-hydroxyadipate Lipid Fatty Acid, Dicarboxylate 31934 LC/MS Polar 100001153 3000 161.04554 18294-85-4 193530 167943 C02360 2-hydroxyphenylacetate Amino Acid Phenylalanine and Tyrosine Metabolism 1432 LC/MS Polar 235 858.6 151.04006 614-75-5 11970 11476 C05852 2-isopropylmalate Xenobiotics Food Component/Plant 15667 LC/MS Polar 100000409 2605 175.06119 3237-44-3 77 76 C02504 2-oxoadipate Amino Acid Lysine Metabolism 38347 LC/MS Polar 92 2633.1 159.0299 3184-35-8 71 70 C00322 3-hydroxy-2-ethylpropionate Amino Acid Leucine, Isoleucine and Valine Metabolism 32397 LC/MS Polar 100001170 1443.3 117.05571 4374-62-3 188979 164207 3-hydroxy-3-methylglutarate Lipid Mevalonate Metabolism 531 LC/MS Polar 112 2700 161.04555 503-49-1 1662 4573695 C03761 3-hydroxybutyrate (BHBA) Lipid Ketone Bodies 542 LC/MS Polar 254 1443.3 103.04007 625-72-9 441 428 C01089 3-hydroxyisobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 1549 LC/MS Polar 111 1619.1 103.04007 2068-83-9 87 10140307 C06001 3-methyladipate Lipid Fatty Acid, Dicarboxylate 36749 LC/MS Polar 100001765 2865 159.06628 422955 12292 11789 3-methylglutaconate Amino Acid Leucine, Isoleucine and Valine Metabolism 38667 LC/MS Polar 100002458 2579.6 143.03498 5746-90-7 1551553 1267861 allantoic acid Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 33434 LC/MS Polar 218 2960 175.04728 99-16-1 203 198 C00499 allantoin Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1107 LC/MS Polar 1002 1672 157.03671 97-59-6 204 199 C02350 alpha-ketobutyrate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 4968 LC/MS Polar 796 940 101.02442 600-18-0 58 2829426 C00109 alpha-ketoglutarate Energy TCA Cycle 528 LC/MS Polar 93 2700 145.01425 305-72-6;328-50-7;22202-68-2 51 50 C00026 asparagine Amino Acid Alanine and Aspartate Metabolism 512 LC/MS Polar 917 2951.1 131.04621 70-47-3 6267 6031 C00152 aspartate Amino Acid Alanine and Aspartate Metabolism 443 LC/MS Polar 234 3500 132.03023 56-84-8 5960 5745 C00049 chiro-inositol Lipid Inositol Metabolism 37112 LC/MS Polar 100001859 3191.2 225.06159 643-12-9 10254647 C19891 choline phosphate Lipid Phospholipid Metabolism 34396 LC/MS Polar 267 4730 228.06424 72556-74-2 1014 119298 C00588 creatine phosphate Amino Acid Creatine Metabolism 33951 LC/MS Polar 100000112 3831 210.02853 922-32-7 587 567 C02305 dimethylmalonic acid Lipid Fatty Acid, Dicarboxylate 42978 LC/MS Polar 100004251 2702 131.03498 595-46-0 11686 11195 erythronate* Carbohydrate Aminosugar Metabolism 42420 LC/MS Polar 100001320 2186 135.02989 88759-55-1 2781043 2061231 ethylmalonate Amino Acid Leucine, Isoleucine and Valine Metabolism 15765 LC/MS Polar 2054 2785 131.03498 601-75-2 11756 11263 fructose Carbohydrate Fructose, Mannose and Galactose Metabolism 48195 LC/MS Polar 878 2022.2 225.06159 57-48-7 5984 5764 C00095 fumarate Energy TCA Cycle 1643 LC/MS Polar 330 3084 115.00368 100-17-8 444972 10197150 C00122 galactonate Carbohydrate Fructose, Mannose and Galactose Metabolism 27719 LC/MS Polar 100001026 3085 195.05102 299-28-5 128869 114198 C00880 gluconate Xenobiotics Food Component/Plant 587 LC/MS Polar 338 2922 195.05102 527-07-1 10690 10240 C00257 glucose Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 48152 LC/MS Polar 572 2342 225.06159 50-99-7 79025 71358 C00031 glucuronate Carbohydrate Aminosugar Metabolism 15443 LC/MS Polar 100000257 3233.3 193.03537 207300-70-7 444791 58552 C00191 glutarate (pentanedioate) Amino Acid Lysine Metabolism 396 LC/MS Polar 339 2900 131.03498 110-94-1 743 3618533 C00489 glycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1572 LC/MS Polar 1052 2070.4 105.01933 600-19-1 752 732 C00258 glycerol 3-phosphate Lipid Glycerolipid Metabolism 43847 LC/MS Polar 100000258 3938.7 171.00639 29849-82-9 754 734 C00093 glycerophosphoethanolamine Lipid Phospholipid Metabolism 37455 LC/MS Polar 100001620 3075 214.04859 33049-08-0 123874 110410 C01233 glycerophosphoglycerol Lipid Glycerolipid Metabolism 48857 LC/MS Polar 100001619 2430 245.04317 439964 388990 C03274 glycerophosphoinositol* Lipid Phospholipid Metabolism 47155 LC/MS Polar 100001621 3850 333.05922 16824-65-0 guanidinoacetate Amino Acid Creatine Metabolism 43802 LC/MS Polar 344 2884 116.04655 352-97-6 763 743 C00581 gulonic acid* Cofactors and Vitamins Ascorbate and Aldarate Metabolism 46957 LC/MS Polar 100001586 2750 195.05102 20246-53-1 9794176 7969943 hypotaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 590 LC/MS Polar 358 2763.4 108.01247 300-84-5 107812 96959 C00519 lactate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 527 LC/MS Polar 482 1468.8 89.02442 79-33-4 612 592 C00186 malate Energy TCA Cycle 1303 LC/MS Polar 409 3343.1 133.01425 6915-15-7 525 510 C00149 malonate Lipid Fatty Acid Synthesis 15872 LC/MS Polar 818 3447 103.00368 141-82-2;26522-22-85-0 867 844 C00383 mannose Carbohydrate Fructose, Mannose and Galactose Metabolism 48153 LC/MS Polar 803 2200 225.06159 3458-28-4 18950 141983 C00159 methylsuccinate Amino Acid Leucine, Isoleucine and Valine Metabolism 15745 LC/MS Polar 2051 2800 131.03498 498-21-5 10349 9922 mevalonate Lipid Mevalonate Metabolism 39583 LC/MS Polar 30 1462 147.06628 96949-03-0 439230 388367 C02104 myo-inositol Lipid Inositol Metabolism 1124 LC/MS Polar 363 3506.3 225.06159 87-89-8 892 10239179 C00137 N-acetylalanine Amino Acid Alanine and Aspartate Metabolism 1585 LC/MS Polar 1110 1564.8 130.05096 97-69-8 88064 79449 C02847 N-acetylaspartate (NAA) Amino Acid Alanine and Aspartate Metabolism 22185 LC/MS Polar 100000787 3143 174.04079 997-55-7;997-55-7 65065 58576 C01042 N-acetylglycine Amino Acid Glycine, Serine and Threonine Metabolism 27710 LC/MS Polar 100001006 1780 116.03531 543-24-8 10972 10507 N-acetylneuraminate Carbohydrate Aminosugar Metabolism 32377 LC/MS Polar 1162 3072.6 308.0987 131-48-6 439197 10292217 C00270 N-acetylserine Amino Acid Glycine, Serine and Threonine Metabolism 37076 LC/MS Polar 100001851 2000 146.04588 97-14-3 65249 58744 N-carbamoylaspartate Nucleotide Pyrimidine Metabolism, Orotate containing 1594 LC/MS Polar 1108 3800 175.03604 923-37-5 93072 4573859 C00438 N-glycolylneuraminate Xenobiotics Food Component/Plant 37123 LC/MS Polar 100001491 3327.5 324.09362 1113-83-3 123802 3794850 C03410 N-palmitoyl-sphingosine Lipid Sphingolipid Metabolism 48278 LC/MS Polar 1518 703 582.5103 24696-26-2 5283564 4446677 oleoyl-linoleoyl-glycerophosphocholine (1) Lipid Phosphatidylcholine (PC) 48270 LC/MS Polar 100006165 777 828.576 oleoyl-linoleoyl-glycerophosphocholine (2) Lipid Phosphatidylcholine (PC) 48390 LC/MS Polar 100006166 860 828.576 oleoyl-linoleoyl-glycerophosphoinositol (1) Lipid Phosphatidylinositol (PI) 48303 LC/MS Polar 100006140 902 859.53393 orotate Nucleotide Pyrimidine Metabolism, Orotate containing 1505 LC/MS Polar 445 1638.1 155.00983 50887-69-9 967 942 C00295 orotidine Nucleotide Pyrimidine Metabolism, Orotate containing 35172 LC/MS Polar 100001416 2250 287.05209 314-50-1 92751 83729 C01103 palmitoyl sphingomyelin (d18:1/16:0) Lipid Sphingolipid Metabolism 37506 LC/MS Polar 100002107 870 747.56577 6254-89-3 9939941 8115562 palmitoyl-arachidonoyl-glycerophosphocholine (1)* Lipid Phosphatidylcholine (PC) 48383 LC/MS Polar 100006132 870 826.56034 palmitoyl-arachidonoyl-glycerophosphocholine (2)* Lipid Phosphatidylcholine (PC) 48392 LC/MS Polar 100006157 790 826.56034 palmitoyl-linoleoyl-glycerophosphocholine (1)* Lipid Phosphatidylcholine (PC) 48385 LC/MS Polar 100006133 870 802.56018 palmitoyl-linoleoyl-glycerophosphocholine (2)* Lipid Phosphatidylcholine (PC) 48269 LC/MS Polar 100006134 783 802.56049 palmitoyl-linoleoyl-glycerophosphoinositol (1)* Lipid Phosphatidylinositol (PI) 48304 LC/MS Polar 100006138 910 833.51845 palmitoyl-oleoyl-glycerophosphocholine (1)* Lipid Phosphatidylcholine (PC) 48267 LC/MS Polar 100006142 853 804.57604 palmitoyl-oleoyl-glycerophosphoglycerol (2) Lipid Lysolipid 48391 LC/MS Polar 100006159 745 747.51853 palmitoyl-palmitoyl-glycerophosphocholine (1)* Lipid Phosphatidylcholine (PC) 48276 LC/MS Polar 100006160 854 778.5604 palmitoyl-palmitoyl-glycerophosphocholine (2)* Lipid Phosphatidylcholine (PC) 48389 LC/MS Polar 100006161 790 778.5604 pimelate (heptanedioate) Lipid Fatty Acid, Dicarboxylate 15704 LC/MS Polar 100000101 2745 159.06628 111-16-0 385 376 C02656 quinate Xenobiotics Food Component/Plant 18335 LC/MS Polar 100000442 2432.9 191.05611 77-95-2 6508 10246715 C00296 quinolinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 1899 LC/MS Polar 182 3000 166.01458 89-00-9 1066 1037 C03722 ribitol Carbohydrate Pentose Metabolism 15772 LC/MS Polar 100000406 1789.6 151.06119 488-81-3 6912 10254628 C00474 ribonate Carbohydrate Pentose Metabolism 27731 LC/MS Polar 100001007 2425 165.04046 1255190 5460677 4574162 C01685 ribose Carbohydrate Pentose Metabolism 1471 LC/MS Polar 914 1508.2 195.05103 50-69-1 5779 4470639 C00121 sphingomyelin (d18:1/14:0, d16:1/16:0)* Lipid Sphingolipid Metabolism 42463 LC/MS Polar 100004328 873 719.53447 11433862 9608732 sphingomyelin (d18:1/18:1, d18:2/18:0) Lipid Sphingolipid Metabolism 37529 LC/MS Polar 100002106 865 773.58142 108392-10-5 6443882 4947837 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* Lipid Sphingolipid Metabolism 48493 LC/MS Polar 100006295 910 829.64402 29368329 sphingomyelin (d18:1/24:1, d18:2/24:0)* Lipid Sphingolipid Metabolism 47153 LC/MS Polar 100005986 850 857.67533 94359-13-4 24846874 sphingomyelin (d18:2/16:0, d18:1/16:1)* Lipid Sphingolipid Metabolism 42459 LC/MS Polar 100004329 866 745.55012 sphingosine 1-phosphate Lipid Sphingolipid Metabolism 34445 LC/MS Polar 100000626 1850 378.24148 26993-30-6 5283560 4446673 C06124 stearoyl sphingomyelin (d18:1/18:0) Lipid Sphingolipid Metabolism 19503 LC/MS Polar 1538 979 775.59707 85187-10-6;85187-10-6 6453725 4956085 C00550 stearoyl-arachidonoyl-glycerophosphocholine (1)* Lipid Phosphatidylcholine (PC) 48386 LC/MS Polar 100006135 869 854.59091 stearoyl-arachidonoyl-glycerophosphocholine (2)* Lipid Phosphatidylcholine (PC) 48393 LC/MS Polar 100006158 790 854.59091 stearoyl-arachidonoyl-glycerophosphoethanolamine (1)* Lipid Phosphatidylethanolamine (PE) 48497 LC/MS Polar 100006316 750 766.5392 stearoyl-arachidonoyl-glycerophosphoinositol (1)* Lipid Phosphatidylinositol (PI) 48282 LC/MS Polar 100006136 897 885.54948 stearoyl-arachidonoyl-glycerophosphoinositol (2) Lipid Phosphatidylinositol (PI) 48847 LC/MS Polar 100006156 850 885.54948 stearoyl-linoleoyl-glycerophosphocholine (1)* Lipid Phosphatidylcholine (PC) 48387 LC/MS Polar 100006154 792 830.59166 stearoyl-linoleoyl-glycerophosphocholine (2)* Lipid Phosphatidylcholine (PC) 48388 LC/MS Polar 100006155 867 830.59109 stearoyl-linoleoyl-glycerophosphoethanolamine (1)* Lipid Phosphatidylethanolamine (PE) 48499 LC/MS Polar 100006320 750 742.5392 sucrose Carbohydrate Disaccharides and Oligosaccharides 1519 LC/MS Polar 935 3092 387.11442 57-50-1 5988 5768 C00089 taurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2125 LC/MS Polar 512 2120 124.00739 107-35-7 1123 1091 C00245 threonate Cofactors and Vitamins Ascorbate and Aldarate Metabolism 27738 LC/MS Polar 100001022 2384 135.02989 70753-61-6 151152 133224 C01620 uridine 5'-monophosphate (UMP) Nucleotide Pyrimidine Metabolism, Uracil containing 2856 LC/MS Polar 869 4150 323.02859 3387-36-8 6030 1399139 C00105