metabolite_name UWIM-11164 UWIM-11165 UWIM-11166 UWIM-11167 UWIM-11168 UWIM-11169 UWIM-11170 UWIM-11171 UWIM-11172 UWIM-11173 UWIM-11174 UWIM-11175 UWIM-11176 UWIM-11177 UWIM-11178 UWIM-11179 UWIM-11180 UWIM-11181 UWIM-11182 UWIM-11183 UWIM-11184 UWIM-11185 UWIM-11186 UWIM-11187 UWIM-11188 UWIM-11189 UWIM-11190 UWIM-11191 UWIM-11192 UWIM-11193 UWIM-11194 UWIM-11195 UWIM-11196 UWIM-11197 UWIM-11198 UWIM-11199 UWIM-11200 UWIM-11201 UWIM-11202 UWIM-11203 UWIM-11204 UWIM-11205 UWIM-11206 UWIM-11207 UWIM-11208 UWIM-11209 (N(1) + N(8))-acetylspermidine 2722411 1431590 1611682 1891177 2861285 2554318 1631673 1987629 1840511 1657497 1362683 2266734 1920052 1904126 2188608 2579061 1069197 1375001 2051233 1431668 2329191 1272216 2573021 1978429 1660887 1470977 2081654 2770023 2821090 1575361 1785449 1472711 1670095 1890812 2173811 1775630 2271788 1732021 3240067 869111 1571849 2769890 1973722 2451962 1466858 2515798 1-methyl-4-imidazoleacetate 6265752 4475803 4415128 3395122 2685129 3483612 4307364 4250090 2535016 3801573 5014209 3526475 2984256 4538490 4114079 4898912 4013630 2427853 7002706 4369962 6288153 3352164 3833803 8806457 4381591 4528409 2704665 3319255 4363093 4492396 3587248 2605324 3866814 4432076 3387329 2711479 5504742 4071746 4483578 3760569 2560054 7160482 4471738 7297645 3549459 4904299 N1-methyladenosine 7606220 6532841 5786756 5210601 5415769 6249135 5347730 5518870 5321098 5906273 5611782 5942202 4330932 5599150 5166744 7047434 6175419 5402538 6502319 6101099 6803943 4851117 5425749 6288205 6255840 5724135 5652017 6916437 5708939 6089448 5391205 5655319 5723999 5946308 5588510 5052863 6403469 6102552 6398272 5717436 5745073 6815528 5374137 5624815 4282226 5719533 1-methylnicotinamide 3597905 4299600 5679852 4850381 3563088 6968780 2336062 3469809 2496150 5267880 5395324 4445847 3116874 3775801 2766849 4148799 6014089 3239709 2503619 4020741 5956706 3493888 4089151 2785918 3780065 6165896 2894621 1822192 6165820 3067052 4422930 3832888 4593556 2792496 3657430 6073593 2729073 4338417 2886592 5158083 2887707 2733440 1693292 2753114 1791788 5377839 1-methylurate 131436 137605 554945 606243 844044 87807 507281 54408 543578 392837 824744 666780 679080 1352013 1141362 624573 83880 91717 439352 125193 201986 396981 85017 1185599 95757 1418778 98237 52742 791004 700791 951612 2490151 576591 1525278 929828 1446100 378655 509911 858241 835690 73370 514703 1-ribosyl-imidazoleacetate* 4670699 2171994 2686338 2374726 2441618 2738639 2512405 2788642 1838372 4118867 5895338 3103663 3473560 3830479 2517254 4076896 2155912 2118692 7941443 2757586 2849764 3336108 3170736 4977647 2955939 3439042 1992181 2761638 2871350 2812578 2834709 2500633 2988928 5389330 2626232 2805948 4085316 3037518 3497904 2435389 1790452 6350449 3591021 8080340 3652888 3855512 2-aminobutyrate 132571328 102187640 88433376 102583608 106881792 85429968 93138432 93331592 167462752 92010632 67899496 111717872 111655168 69528328 124497128 112758840 101527768 91239072 100829888 107356656 129227976 76236808 94866264 141597904 118878136 64082848 93945528 60935844 87548192 83280240 114464032 141736544 102682624 115733992 111687904 101649392 87731312 100009328 133484632 81364224 138616992 127072088 86678704 103854864 99444592 83309384 2-aminoheptanoate 1972593 1300540 1168428 1404003 1727250 1640923 1135201 2249387 1314261 1892586 1891165 914371 1620959 1832279 4042310 1615376 571085 3655287 2274469 537813 3537152 2017839 1863482 1757373 1263024 1413561 1530224 2645501 1502679 882187 1742207 908571 1586208 1246420 1080827 1245140 718841 2141311 1488328 810828 4225752 2209849 759007 3491139 1831874 1751016 2-hydroxyglutarate 1017120 1310093 1227822 911781 748320 717597 1100930 1236793 963345 1800032 1144852 1392463 1396037 1042654 1052370 925178 1227326 1487080 875862 1099085 1189307 586505 686418 1176711 1009448 1212388 953043 1182152 1071556 1035221 1018133 725618 1257417 762978 1647120 1212154 1706498 890382 1165900 1038798 1139444 1040714 988438 737797 1106891 694122 2-methylbutyrylcarnitine (C5) 2541765 1226084 2004205 1918111 2741735 1168561 1430096 1343062 1511066 1378739 1353361 1596522 2140560 1449030 1854827 1953839 1477998 939502 5971767 1914597 3582574 827316 2474619 1472335 1265992 1820294 1645493 1026737 2316281 1139122 1540759 1239911 1386458 1498168 1460189 1912785 2740876 1888785 2066038 3923931 1978302 2853987 749357 1773184 2-methylbutyrylglycine 507475 557687 134662 241446 135839 459408 887725 437863 408747 420432 510992 180379 1096811 574216 177436 349100 265742 492913 181695 888458 264336 218588 650828 252421 432976 132726 532492 333714 244377 270767 434757 356436 201786 682162 215100 560822 197164 467456 358900 125924 343640 390854 416952 2-methylmalonylcarnitine (C4-DC) 951504 288124 254403 203513 269208 518897 283206 308527 410222 395789 361974 530199 542807 266831 236109 781116 411095 653877 320622 323527 771844 361352 326365 304556 208557 383181 220673 429219 258669 577317 527533 184666 383438 650671 475786 623271 228198 677163 2-methylserine 4123586 3880427 2623797 1482985 2240511 1609456 2312106 4220567 1715795 1551746 1700820 3527189 850620 7020219 1449865 2631686 10738694 1527395 2797133 11356824 2605604 1370604 6608025 3078941 1009018 1370360 2419356 2522933 3689080 17743664 4056649 3607106 3609776 1719308 2864278 7245560 1146381 3350058 4123256 3234347 2203088 9711056 5555504 2'-O-methylcytidine 605477 1073977 710815 748855 606843 861126 690242 843796 918755 895023 1329372 737206 1429720 1146191 847537 900652 1170366 616885 717462 772388 992437 1047303 860282 1142124 792055 918467 810639 1192107 981952 717563 849755 625212 770764 1488221 1418165 1063366 895400 522775 965500 873856 606783 1368853 1157795 2-oxoarginine* 2327223 1808269 3229453 1774037 4643169 1507381 2007579 1945060 1411106 1799745 2553045 3117536 3758695 1386602 1744954 5741422 2674867 4303370 9535467 2324423 5013217 2273633 3537763 2748558 1745928 2854989 1424408 1988890 1369839 4327890 1971772 2246967 1575068 2215207 2104336 2734630 1904361 4737444 5891848 5436090 2636156 6764473 2003875 2076974 1880308 1114318 2-piperidinone 17602602 6041326 11820997 8528451 21383568 3856597 5872545 79582704 4729253 16696014 3629903 1774380 9186509 11221081 27291788 35259968 3570599 2981917 15683275 11638580 20344844 7905197 4802092 6113103 4735920 7805062 11650723 17894028 4813826 10905459 6015125 6645915 5194571 2769599 1534104 3834406 16865602 34831640 19316908 1255907 2988611 14382178 7540873 18631818 85933696 5077362 3-(cystein-S-yl)acetaminophen* 701360 1273869 1893427 3-aminoisobutyrate 21781868 18723216 21554096 17139812 11963095 17717208 13685404 17079696 20544492 17590816 17440260 19378998 9441511 19468426 21376110 19228764 10822868 12052992 16755978 11779628 23471816 22020092 9132841 21216240 21744494 10817362 15158173 8602491 21086104 11379024 19947060 18484176 16020444 18701556 19889012 8395344 23438362 17278668 20493596 7357069 15846073 21214036 10023453 22993688 16186616 17329440 3-hydroxybutyroylglycine** 1511685 3466094 2009602 3565746 903294 2724428 2054044 925136 1858327 1584521 706458 671191 630011 4117071 1229266 671498 565395 329012 333705 454285 479746 1374767 393160 1500683 3389981 1713292 3961797 983997 2790457 1233759 1462196 1097494 2271754 1028497 1213853 592370 5772562 345874 751628 575322 594690 503463 231037 1712441 1946679 484445 3-hydroxybutyrylcarnitine (1) 5649700 2543031 1252119 1968799 1885850 1525969 2333919 2545432 6368239 3041285 495320 1199542 1288367 3647016 1796855 4477322 1359581 468253 2085265 2662197 1771134 1347588 922601 3575469 4265726 306940 2472889 2699575 2789135 706296 2913611 2750304 3428572 984806 3483763 686955 4064895 719957 2778817 918652 1279084 2342096 1781599 1444667 1046580 914168 3-hydroxybutyrylcarnitine (2) 3135881 1220806 2214980 1390949 2674004 2308200 3805537 1477674 2010908 1886546 1676334 1216847 1201771 1165097 2891787 1493845 911931 2041156 1502342 1852182 754458 895709 1660407 1752341 1077778 1948583 2838073 1818465 2541936 1451091 2445225 781621 2138917 1028622 3551152 865933 4233616 1007316 1722359 2372968 1241559 2861199 1253657 1282458 3-hydroxystachydrine* 17899704 10164033 8469306 806415 1900507 1726163 274996 2066931 1688487 5811837 638524 1316281 25387444 19753524 6987865 4113142 559454 12516330 7967432 1763014 3180198 2825575 19231778 3260724 17649146 2727120 25764782 2182997 16387918 3673345 8441654 11026959 873026 54517996 12634829 10067386 1717961 3-methoxytyrosine 984688 1035539 779090 620936 993076 991604 925232 804104 1063528 1183152 903070 604125 635057 864412 713762 663539 446960 390496 899164 549487 1046411 717505 887135 897981 914265 871458 597281 1416752 1381547 865321 926757 750950 918889 766344 573582 480674 1041673 823724 1123424 619151 643931 846337 653438 1216721 784899 1607975 3-methylcytidine 398927 857079 405788 526216 472160 532235 366614 412308 455460 633597 279005 553359 506795 512129 367865 616250 503903 859698 383763 528413 521614 547239 462970 248253 721187 442221 445000 531427 440118 358151 508241 474986 490989 421823 601310 499491 537872 442507 494404 435898 708073 429843 471389 384877 454593 525069 3-methylglutarylcarnitine (2) 3571168 1365903 1325006 3389267 1748780 2284260 704203 1059139 843260 694923 833269 1816061 1012513 1585013 1682966 1289272 716811 624232 2899157 2357332 1092823 1096004 1641179 3113078 1721221 1251749 3508006 1725814 2414834 862734 1388669 1260042 676466 1032462 1556891 1157030 1880317 2369013 1787515 572356 1031985 3278081 2298889 955189 1245588 1996711 3-phosphoglycerate 1590802 194619 1352752 1283328 608947 130937 109699 45282 1251004 1408154 90370 1863693 1663168 1054039 604926 163898 345317 1679303 321139 1045254 245966 86522 91434 868696 73709 96907 1052549 153354 99278 183440 216554 1281875 68006 1018688 208420 110297 71458 163642 87516 290088 129739 1082604 131326 1100231 41597 3-ureidopropionate 169077 100609 138992 121590 279513 145256 141987 129878 196605 133272 260128 165057 203590 143608 151287 128009 224113 199141 84556 142687 157753 65708 256651 146351 168038 140608 346965 223034 133545 4-acetamidophenol 448487 125467 195761 609839 163152 7372127 75558 502274 202752 17947582 556798 209912 213860 691509 32093244 69957 159555 107733 182887 191541 195965 454710 5932755 330115 4262842 205079 698546 657483 5441891 609298 339262 41121808 796980 199115 226828 243116 246225 267865 66318 4-guanidinobutanoate 911702 1445281 1060472 633696 2642845 708008 493793 459987 265437 625744 2949156 1592850 1773117 891717 1753058 458543 747589 1006163 596183 2844865 1857272 464136 863209 698835 1366192 318710 272741 981171 318350 509901 642739 2391767 1006216 1730590 638825 2146460 2717116 1054995 670774 549350 473325 791570 1994209 306393 4-hydroxyglutamate 105900 192906 97760 161467 309409 49385 105598 172981 48626 61808 100629 134947 203057 188001 41399 81176 1308343 204904 166864 56088 393636 115248 85838 93371 375908 51778 273930 82771 62899 50727 85703 127726 54883 398806 190684 173314 909432 265836 90351 585068 5-(galactosylhydroxy)-L-lysine 609846 555690 427443 531167 433761 509190 242580 332289 673062 592945 494633 443068 499311 566987 648572 559032 425570 428540 1440463 678870 617243 349808 286590 1066010 666287 607121 305882 889785 834378 542928 653391 695283 415601 683469 499003 340264 580668 725965 750015 409955 233708 1326639 489054 328390 601039 740924 5-hydroxyindoleacetate 200562 471576 66462 148667 132905 89605 154234 119402 146954 120361 82327 140980 61694 249188 93616 217006 154599 186629 103392 133333 129108 323833 131338 101376 122901 98478 213188 159557 80789 87772 80563 270413 113566 118611 216003 84735 127589 55011 5-hydroxylysine 2142011 946917 1909100 1321684 2729205 1359949 1080322 1784851 1607298 1085918 1082436 1506358 1046958 1293395 748122 1555426 1168024 806566 2331024 1234406 1291999 1302170 968908 2440624 812648 1994752 1348057 2731360 1412938 1107250 1430232 1610253 1299986 1177965 1227106 953210 1390368 946331 1730281 1112627 1094456 1840993 1399842 998717 1354257 972497 5-methylthioadenosine (MTA) 1840755 993874 972709 1217129 1555749 1329166 1112615 1447454 1081951 1236592 1301253 1393805 1504249 1591531 1479980 2194065 1552314 1381117 2865660 1623599 1717521 1204382 1584505 1906703 1421669 1073071 1405749 1819964 1471548 1235924 1750473 1102119 1215840 1450649 1544835 1306712 1715861 1768632 2098979 1656078 1543471 2766066 1434340 1542737 1493808 1787780 7-methylguanine 7584396 7159172 6320889 4876192 7372859 5490949 5207764 6633352 4426389 6245499 6349410 5324743 4954089 7053032 5342437 10363847 4562964 4207393 6813342 5265650 7872292 5685782 6145884 6499331 5419645 6667071 4948720 7497613 4656796 5140618 6386971 5326774 5636731 6207097 6187777 5880764 6932217 6957525 7550800 4592737 5022835 6313791 5323410 8225380 4687407 7607448 7-methylxanthine 463192 374924 2022534 1273932 707327 3346208 1278083 1289163 2250587 1746312 4559844 1116340 1561453 1774873 2389385 2994807 1557346 753771 1282973 5598444 217351 2494868 12265405 872627 2726246 362902 4675095 5404290 2640311 1152720 379679 991966 7161866 9597754 1979644 6111958 3103487 3165126 916357 2115883 2368694 1076204 2334141 178003 721594 acetoacetate 8300362 3133070 2181064 4379069 4029629 1939782 3044642 2984216 9650306 8697504 1678368 2931051 3722696 2994764 6374520 6696999 2230037 1798793 2765936 6378843 1548567 6000153 2046182 8296305 7365995 829960 3581713 5124156 3362082 1144322 4355220 4083287 5686268 1601075 4239143 2032086 7419687 917561 4873272 1477099 4217698 4232753 3773724 2508156 5093410 2066672 acetylcarnitine (C2) 882303552 748110464 720892352 639730240 615867520 429329152 826532736 525500448 823891520 697571840 387562240 615783616 564543168 688623232 618475584 921582336 713467968 409377664 712776512 624389696 775851584 512667520 496632544 699225024 790008448 395661280 585903168 738906048 465344608 549803264 727278848 645259072 691704960 426046272 881553792 472749824 665187264 468615424 774855744 527827616 595644288 675355264 633894208 727759360 488866016 573089024 adenine 1188911 523983 773791 976375 1059271 769969 653068 945052 1144534 1421063 754126 1258567 1277451 1167289 1200284 817106 894511 1337122 862176 954161 661525 1134632 693875 1306775 975341 1192847 648365 1060876 898176 966149 1026524 895065 1114936 736196 1015089 760067 990531 1036474 993999 1086308 809184 1004834 953476 717800 1213729 1083622 adenosine 244809 75346 523459 306583 127049 172830 480413 526952 489870 354727 225416 171277 77877 423983 90880 264181 66731 288742 244945 46942 226333 254050 349229 121162 249055 adipoylcarnitine (C6-DC) 2810335 3787878 913523 804508 1177967 1942904 887476 1127547 1880272 732061 585188 1049008 578264 1164962 6316642 496779 936485 2719439 2156367 2192146 546607 1575456 2910308 684823 1023187 993578 1440744 638868 1426230 1149396 1045301 948435 1867213 629908 2078658 1347816 5842555 525944 652429 2360471 1782540 1465799 730313 2236206 alanine 506908096 494065952 485374912 426828672 512415648 499515744 561902400 630667392 469175040 395494304 508433824 556157632 615647616 505065952 505739040 612144000 447661472 541272064 584480448 510183680 591923328 447738400 599635328 529450912 500891936 510643776 429139968 576614720 485649792 569938112 594190208 518619392 452460928 574166144 552266048 863532480 472007936 702817536 574207104 567705536 494682720 561791808 569901312 578274240 505758144 687444416 alliin 5273491 219875 626829 876978 740891 866275 207720 419604 784691 518669 661940 974995 3154312 631046 5671810 1195584 203298 144172 449126 426511 313017 2286691 579127 595802 3465961 1012132 252503 920258 180659 1834668 4039960 658924 2521593 1650993 5749377 133844 adenosine 5'-monophosphate (AMP) 2676226 462685 3157682 3667136 1686014 1531161 534471 207631 4494806 4506157 276970 5372951 5350461 3440018 2595505 190290 1191738 4986980 544589 2946337 196718 312690 688976 82084 2773760 207914 111236 2806863 1683136 405528 441042 493940 3073562 210730 3598898 204063 246892 278944 241159 667441 588767 250723 3162106 289799 2793789 558764 anthranilate 124719 181651 110708 286879 190518 278534 170244 154852 146326 180179 245633 135348 156776 122003 200696 158267 139792 158432 103292 125082 130615 143417 507378 114638 123497 argininate* 4971362 3957118 3870072 3369042 6477046 1334710 3010753 2520110 2862310 5035279 2788454 4119688 3430493 1419153 3032695 2111732 3521031 5363306 10251582 3596623 4737957 4618300 2343721 4728886 2546177 3353708 3039182 2567218 1345972 5386470 2948674 4334609 4414396 3248147 2432977 3050942 5019091 7285921 2636446 5803528 3790717 10114778 1897076 1883116 2166937 1187127 arginine 944904192 795593920 573785216 648820096 766502272 972093888 775598848 760617408 708617216 769477312 835786560 747671872 767089920 686444672 741286144 849626880 766444736 726541440 767205056 603840960 710276672 959200768 658993216 1017983104 802343296 685645248 714060032 670112128 958092992 750111232 801914560 722439552 778328896 797283392 666579776 927494016 732841792 914304896 831643072 826274048 798807104 815789376 652314496 702931904 908562880 740595136 argininosuccinate 144939 62802 137473 305943 61089 135891 58522 100248 141868 46935 55029 166313 106469 154856 133881 55163 60192 233538 37305 74817 141978 81253 133422 48780 66983 114030 asparagine 231597216 228553264 282822944 225813248 219997104 254704272 212689152 216550832 208648704 236373184 254977936 244243568 255429856 256178976 213325088 243460464 237289360 238379680 198583584 220169936 239248272 268276480 228770848 288425408 237396576 256695344 214473856 199819360 245875488 198890928 224100624 219611808 243645920 239916816 214847248 277353088 266575808 245578832 243616112 240146640 258309456 205619184 221518368 252063872 287248256 244591216 aspartate 21359472 7170451 21378256 18927200 22138480 7415456 8901363 6397538 23614512 16256969 4607683 28303764 25549032 18766382 20934776 11501850 8553303 39306832 17892328 24510280 8208484 5810601 12884125 8403283 18697524 4563422 4247395 27309872 9603769 6443384 8199278 8851014 15588890 4842916 19779464 7826311 8881348 8604231 13751077 5477786 11121872 15156676 24288490 6195227 15431231 9713392 atenolol 304776 59056144 119165 38223048 benzoylcarnitine* 348746 100600 235228 91979 796158 160651 84863 56980 182484 472231 155830 479557 317978 87581 645570 240050 474080 263848 146960 141873 171958 139188 170051 110655 422915 103466 140517 80321 62150 221738 132086 192147 193187 226852 73986 921799 437323 145108 583070 235572 240923 beta-alanine 11467213 18065732 16944136 16686459 15685118 11019957 14088293 11311003 15050307 11515445 11678128 14415327 17978552 9063123 13179617 11773778 16779980 14099471 15253809 13229971 16529787 8675653 11798890 16858780 18320726 12507288 13874640 11874341 16636512 15352767 12390230 16626685 11790577 13369448 11077204 13771803 9552545 15678113 14712055 18660882 10750713 15635630 17171348 12978697 10601886 15338288 betaine 785290368 565205888 664412160 1038464064 652509440 785472384 669499968 529697472 598585792 971383488 581216768 872198656 643331712 700396288 716989568 802107392 757714240 553581056 555540864 592457728 896030720 750451712 670326784 802721472 590050816 713458240 855400512 614517056 773955968 679871232 579026624 594346816 944793600 621945408 887206144 731647488 733713152 723482496 987988416 596944576 751500032 635877312 660865472 910461504 791593856 696617472 betonicine 6486318 1882500 1930239 1072487 11323445 220047 4449475 597276 2052125 9648982 2472445 1070057 1491115 1075770 809886 1398428 1374598 8388825 8283138 4247874 1895199 397894 2140071 1754966 602253 1279592 1445497 7887744 1456681 2832009 1859224 5320168 3992324 1964249 2197851 671736 5095176 715033 1449705 464333 21974066 25587422 581701 887610 550524 butyrylcarnitine (C4) 14422361 7818677 9750658 7150454 11088997 4162075 8268905 9344229 5845959 22668338 4766888 10720639 10396003 8351369 19048660 11974287 6750855 7311336 15798590 6498249 7958835 3841271 9431795 12306622 8034766 7454074 7400028 12741207 4964424 6492537 9007734 6182128 19665632 6459473 11387681 7392706 10314629 17700344 10647042 6440222 8327210 11796808 5424834 6795121 4243857 7834279 caffeine 1447296 6059065 11620844 17393192 83558624 1561596 2416098 48781192 1083481 19173532 18503988 15826717 41622172 15047335 38604884 110001728 39347740 3136424 41960412 10214201 17560302 24620024 2779811 22978234 1406541 143020608 806146 3331390 56947784 489926 19285620 145569184 128804112 44484532 30659816 37223816 53986768 31041682 17165348 5913898 96855840 3658940 48220668 carboxyethyl-GABA 434408 406994 370860 433777 110551 462997 402269 436402 262191 861132 435863 495373 298533 399237 404767 522325 420126 299524 464573 275194 527553 333678 344213 409722 373802 346209 443714 353707 462523 377720 424141 490770 375919 425828 444007 308865 407425 446692 559973 569062 358820 433156 351031 381815 411514 404153 carnitine 1528844672 1722703744 1388782720 1504323072 1606707072 1204582784 881781568 1312777472 1310549504 1473025664 1069014080 1730655104 1581379968 1517070976 1613342848 1698065408 1616278144 1325822592 1896993280 1519547776 1759901824 1357026432 1539418112 1392053248 1695465984 1408046720 1533468032 1451292800 1197838208 1635233408 1450306944 1333363072 1482763520 1188166784 1546493056 1823062400 1640028544 1696052736 1722503040 1638014592 1393675648 1498314112 1530175360 1550494720 1170154112 1486931840 choline 219729744 224053248 227828464 212904128 178945760 256902976 196598144 223416432 197662160 244909232 234317504 252757376 198647136 206528000 204187680 280752384 210500496 204160512 277098176 227435696 190943808 143710512 247638528 252645648 212233632 209788384 200225728 199704784 243819648 219446000 237157136 227160128 261046896 228277552 244181840 215960672 216146496 249905120 323567488 214419248 250735104 307840544 242355552 134908656 184339392 242296912 citramalate 96443 69350 120805 107281 121701 63669 56049 269202 161365 238805 86701 68794 220125 90731 95232 100268 67513 144841 41888 158237 82619 191669 67808 179453 184042 181384 156432 310867 157117 58144 79415 citrulline 359373312 225482512 274114784 273512096 290629376 354017120 318012288 201953232 199110480 272892672 328356352 256962384 199041040 266446624 276693664 293882880 247518448 206128256 281634176 188879696 213907216 211842416 209483088 397207456 237918384 246324368 218163536 249171872 344298336 336983904 234051328 225843408 244995568 345629536 229504624 211799040 278912224 306969824 249463072 241710928 222649120 260548032 179015904 218934624 187684464 258866848 cotinine 33269210 2871071 250029 1063600 35625868 4214683 39111 creatine 586199552 1302619648 944032448 1054875200 1144218624 764268096 902785728 885858688 1284464128 794253120 488022432 701684992 716990336 420065728 619521216 499892704 1460924032 1025722176 1023800064 595126912 811601088 630530496 476663392 945859520 1356705024 862118656 1012700544 629424384 927262272 1119325440 1006139072 1437858048 692942656 559678080 580647552 569310144 505063744 568470208 628473344 1577762944 924818112 1300279168 611420352 444552576 597641856 291430592 creatinine 939143616 714837376 748639552 654673664 680582080 743900480 624228800 573163328 640588096 696072128 762443328 715688384 740240896 834346496 894847744 791595136 657212480 594568576 1132291200 700173504 870360384 697886848 674187200 875694720 713315712 758498368 663170368 751120960 789198848 700067072 639127808 680710208 690894016 916376128 779360704 763638528 882574464 1048515520 710566080 643017792 633077376 1041269568 727452416 798772864 697071424 838670016 cys-gly, oxidized 2842068 3582913 5682015 2853301 3625106 4858871 5374112 5623057 2849328 2986056 3755979 3394585 5504206 2235880 3962865 4606589 3175403 2389866 4697852 3802175 5919757 2463045 4261523 2239677 3130163 4194091 3666521 3809183 4132349 5459944 3744905 2857872 2988682 4323579 3071239 5538835 2011562 5111973 3901263 2288743 2070638 3197933 3560005 4740654 2516316 3844187 cystathionine 907331 549115 1118582 344393 945479 644732 358082 315086 370161 298963 461852 335056 514692 782486 343873 638213 191077 293081 1472128 605946 919929 1152877 1192037 817181 635061 504699 655307 682018 590833 337010 226122 375944 183879 650189 370759 340682 811271 621936 838059 310785 717126 491550 1335366 571529 441529 cysteine 5489015 7251287 6604825 10620259 7150256 7269337 7691025 6999819 7058597 7318646 6230732 8341732 7015789 8895134 7792744 8105504 7606869 6303083 5437794 7352950 7170671 6956271 4556958 5894487 8529297 4121457 7496674 8351485 7144956 6193151 7593497 7740726 8743247 6886264 7879883 6378765 7533539 6886536 8383440 6091898 6320139 6037357 5379397 7569920 6816111 7772234 cysteine s-sulfate 1855355 654004 652936 163383 163363 168318 306447 264831 164868 89009 174959 222948 177893 128301 210851 372199 158938 133427 349033 163177 254505 200153 586363 562914 138609 219250 151246 200737 287714 174986 323866 314676 214363 264736 211047 367325 271519 337595 429190 331891 265781 438720 350651 198693 165687 292047 cysteine sulfinic acid 191847 91822 99760 79036 122118 85170 116762 76105 79071 99888 106973 129262 92174 103961 118659 148310 105373 95117 128130 98965 83030 129140 84149 127858 82582 96175 104170 132803 74112 87837 123176 106541 92485 91333 119903 98586 119351 141975 141264 82892 99215 74121 108849 98706 111845 cysteine-glutathione disulfide 12786346 8309770 6797235 11539850 7949936 6555775 9046062 2965925 11397527 16061288 7873687 6868390 10497455 8125395 9640839 7897430 6882074 9892796 3575029 4084864 7889730 5058650 4846701 6880597 13773611 1072710 8011457 10784815 5157887 7161137 4520311 5798374 12071629 7088088 4771115 6975862 5013331 7793336 8442010 5531517 5580208 3245324 6616872 7728765 10717505 5138419 cysteinylglycine 926684 1598526 2021442 2293606 1104491 2602351 2505867 2674584 1184170 1470039 1475192 1906483 1788521 1804376 1776165 2231794 1871280 1157224 1336125 1545648 1976971 1457699 1235986 905467 1876597 1091423 2064871 2051029 1969723 1776481 2229846 1394447 2091865 1846917 1695861 2196780 1541713 1859727 1913344 1643754 1242910 1130650 1130647 2222117 1322218 1957238 cysteinylglycine disulfide* 67562296 65268016 71407200 55822056 66086208 73910096 79720224 77568704 61799728 60738000 67302848 59822912 77719736 56459940 75382264 77763816 56753008 51858188 76092728 65860700 77495656 52206788 63137952 63037092 60921584 70987008 63014108 74211008 69848320 77318208 75532824 60500504 56934368 70643344 65626256 80141792 54396240 86954944 75819880 51683516 51998592 61574412 70383536 67454656 55510620 67477072 cystine 37009604 12714393 22174894 12239300 29927620 22117548 20762178 24618642 27121892 20310264 13713776 23388404 23761276 9561661 15793513 33213456 11968644 14929913 22232076 37360812 37387860 26066604 22474704 23287456 15652608 11550540 24375916 15689881 10772038 11377735 12031133 22416196 23956234 14820917 16113833 13050205 9990981 18925518 27234046 11259930 38506896 18701340 26713612 21000562 10736767 14193334 cytidine 354242 189931 340819 269243 400069 358308 331856 509053 686577 654867 321172 369551 385031 2197543 356434 538681 306826 339883 397731 501959 575742 330920 288528 316598 402539 485730 313939 788159 290829 358030 503080 426761 470544 429439 353601 309905 494754 792872 418623 513085 435196 595907 882108 674826 834637 486831 cytosine 276614 215705 166865 119294 126841 64318 66413 78264 112887 91695 179717 108386 287312 170036 79925 77250 312579 124995 91628 155823 84254 57422 176508 210662 163043 54444 119992 64445 65226 775134 65896 deoxycarnitine 78851000 62558160 81196008 54983752 65712512 60887284 79705840 43705324 58091152 64007792 61861840 69810872 65040728 68219016 75689344 94661416 60264352 62629688 101876160 69308800 96831312 53013816 76962616 69576432 63596328 70283448 65910500 55721452 55220880 83997832 47896496 59931376 69306920 70234656 62078600 78892176 65469092 98791200 99071776 63958792 62578928 70922368 75382656 87209800 53151904 75163112 dimethyl sulfone 1595121 778018 557722 1228780 844906 1382999 1179469 681602 615654 927625 919497 1250784 1044893 8733286 1036394 3388172 530690 1124804 1238670 1258045 803258 1425786 483089 2491833 752334 370811 1503093 997525 1591974 1359730 1124874 1133083 810589 1354108 1114879 973991 1481361 755416 2721115 691236 2353346 1522960 1145980 830786 1632578 606132 dimethylarginine (SDMA + ADMA) 77856816 52605900 46751276 45770452 60669996 52763304 52767744 50111952 55306356 51883628 54555816 56622348 47892200 47234012 46645136 60226160 43618620 43464032 65616084 46186616 65934144 45560064 43352112 76780080 51764200 48195448 50512800 53774604 55668644 46505440 50999140 56818052 44329532 60167492 50507244 46985736 56014576 55963528 63420224 38232692 46131676 66478088 43547856 57882520 52250952 55962752 dimethylglycine 28924340 21388080 20302624 19520548 19066328 29932476 13707741 21551792 18614700 18904828 19090140 25254714 26412660 18054338 51487644 23352704 16406019 17228140 29990610 20979824 22018884 19293398 18646318 30235244 28113014 21023898 15442522 20043550 26490368 13920297 21516382 19416204 18656536 21167716 25611758 23952160 22042068 57102452 30589250 14514576 19601738 26454104 21637492 15666625 17469036 19823260 ectoine 2168570 2158134 4089988 1392196 5450052 3354385 278726 771210 1190249 1441220 2297071 3082836 1612366 1129120 3208689 1327939 4274831 798802 1481256 1878182 9371554 715346 957842 951025 1041647 978934 2344588 1338627 637486 217116 1240087 987375 1731522 6062430 3401512 5169931 1598204 2545975 1368533 999063 471762 4408791 1730993 2651817 677803 2432307 ergothioneine 2468587 6464938 3161153 7731227 4726995 6605870 6386855 1572581 8477041 9643805 6898597 7178521 4891828 9734001 3581971 1695731 4603305 7301518 12087677 5937635 6246340 6336101 1711078 2357026 5915118 2828846 7146130 4053490 9538045 5425510 2135640 8757629 10030015 6225540 7843629 5177360 7489381 4450446 1820940 3922720 9681028 21582462 6150080 6409171 9146057 2066301 formiminoglutamate 2651325 1089602 1726605 1143626 2298514 814009 1290872 1039421 1191046 993272 1022444 1744096 1988140 1212575 1330278 46605088 1221284 1313317 11562070 3097227 3216933 1948269 4635243 2569165 1774603 1065342 989671 2262682 1012242 1356159 1403774 1416325 1175987 918943 1311306 1411588 1230815 1586639 35540444 1212859 1549832 7455227 2080516 986340 1695163 1538956 gamma-carboxyglutamate 1910439 736221 1003576 1387637 928998 1915301 1612902 878629 931416 1050953 943371 1672336 987097 876211 789281 1163292 788547 886854 1605731 835602 1327854 873021 1015847 1162427 1017969 1064509 824569 1297364 1076736 913374 1022320 1358049 889477 1098123 1107771 1036920 694870 1258687 1208288 880402 813284 1535523 1059327 1221550 1207269 859955 gamma-glutamyl-2-aminobutyrate 1153008 813887 384423 790272 909064 687994 856061 759141 1389165 663043 555820 489646 969558 1286857 1253719 558425 649093 854624 761413 1555894 446197 739351 1305571 845059 440030 524701 328738 594549 1258081 1190502 720196 1140121 603964 837562 804963 597777 1638611 419246 988836 981959 548304 1071685 616920 827308 gamma-glutamylalanine 271575 215841 230363 313015 236377 315132 450080 255081 85655 235377 316655 435471 261287 235913 591600 240453 171694 201449 263924 221750 318635 178000 132087 98979 359563 259055 257379 256784 252801 367773 270326 402643 407238 462970 405189 211286 253867 493062 299295 652312 gamma-glutamyl-alpha-lysine 3865423 2862044 2234188 2449481 4075332 3497213 2734155 3729055 2710241 2669215 2356250 2982026 3335218 2923475 3117045 4597899 2470193 2424508 3657671 3061382 3325357 2984210 3545713 4871528 2691160 2063872 2578280 4264404 3416741 2618782 3689098 3089056 3110379 2563947 2648080 3336691 2926293 3486158 5008349 2255196 3310038 3262764 2842599 2804347 3634294 3936948 gamma-glutamylcitrulline* 2409237 1806962 1531740 1334527 2071832 1728133 2380404 1370378 1214716 1836813 1372106 1566420 1272989 1791014 1589726 2216575 1073698 1161764 1410142 1009187 1608001 1686322 1251932 2001962 1808606 1063357 1232447 1259570 1597146 2096164 1427430 1605744 1370107 1381044 1067651 1202080 1680451 1603127 1803179 926424 1309720 880191 882332 1751860 1359420 1872987 gamma-glutamyl-epsilon-lysine 1085059 889415 737225 669622 1268079 826114 936271 918404 967360 896197 781620 914124 993454 1089521 911706 1589593 881265 962537 1434379 819327 1024117 946892 1058249 1408308 1036150 817377 671999 1236646 1031161 856508 1227842 953369 997798 908174 788072 756186 1049350 992217 1771662 787552 845136 1358175 899753 911170 1144307 1331883 gamma-glutamylglutamate 468504 376216 302984 482003 719332 479135 472709 600474 451767 497932 325110 421271 772206 587492 612744 931949 360043 553303 724505 608813 759844 579722 991511 615650 449076 254435 459765 758548 407727 398265 592672 362624 478832 351194 643149 491212 590144 558288 884665 240404 665022 825790 686834 598716 454831 788729 gamma-glutamylglutamine 30551336 27172272 25531260 23704222 27917934 29691836 33970824 34056540 22590084 24061042 29440638 22459960 32240876 33688800 29681614 37685760 23611440 27402440 18580804 22834592 37962584 35396688 29728230 29694740 26609410 18946944 23648002 29831308 27104438 27517060 32659490 22715972 27471648 26570716 26649790 33016762 27474716 35071780 34292652 20575992 26802746 17921504 22131120 44071240 34811724 32579724 gamma-glutamylglycine 7235137 9428298 8248177 5341491 4708101 7272196 5161359 4076092 3697059 4431023 6256564 5520203 4690517 8107726 7413801 4602570 3104086 3832776 2549441 2635267 5345651 5019462 3409070 7530398 9088750 7535059 5766515 4605933 6859299 3995566 4372509 4258246 4676963 5545158 4601731 5304571 7758338 8949770 5091793 3783563 4670795 2561110 3074554 9064927 5633085 3495784 gamma-glutamylhistidine 1097634 1323856 663560 705385 1621981 811478 1059012 788678 1210731 1430526 1827341 1891269 1742771 1625187 966287 1446885 1421745 1582658 1302781 784164 1225377 1081611 1471843 2009703 1538833 1174266 594088 1825917 1708037 1555454 1667252 810594 804845 1880298 932244 840869 1542092 912062 1256333 1276277 967256 2196317 728808 989821 1800619 1532891 gamma-glutamylisoleucine* 1375198 886629 1245340 864818 1420516 816208 1051590 842186 1205182 543572 1014589 874178 1417246 585318 1534840 1689396 716528 1039671 3221955 1248267 1847915 909480 1885968 1899815 967670 1006998 762774 1311059 826008 1249029 774001 1222814 660051 1568844 646738 1033159 493912 1603232 1706870 688160 1183424 2216476 1087426 1302499 927382 1644895 gamma-glutamylleucine 2081139 1051741 1440614 1111980 1571617 1240440 1221548 1483688 1273642 1264514 1123323 1507906 2022659 1214658 1629433 1840932 1060269 1378644 2849883 1355473 2384229 1381669 2203585 2434113 1145304 1108304 1171762 1578319 1309548 1279176 1410395 1468456 1084498 1456571 1375053 1745674 1227995 1453784 1987722 889114 1486391 2059846 1297558 1387418 1363834 1723825 gamma-glutamylmethionine 3225948 2038174 2377362 2073085 2991718 3259270 2590124 3389249 2457826 2113368 2551296 2218354 2903508 3144128 2851542 4168760 1621847 2282377 2495831 2568861 4062320 2584368 3189121 5558609 2463382 1955416 2027054 2372610 2301972 1930475 2388997 2516237 2419907 2227080 2597013 2966655 2516525 2974579 5121822 1777308 2903406 2037465 2375047 4988358 2399331 3105732 gamma-glutamylphenylalanine 732149 513235 582385 387889 687542 653125 603861 661643 482273 541725 583158 671957 708572 677928 556673 1340482 453601 473207 1166812 687309 822857 568727 768090 793042 462621 465880 453302 753181 635052 683900 601520 534960 467247 676948 585515 628465 637882 609781 1290915 523918 544351 885594 641359 646645 566028 803154 gamma-glutamylthreonine 5312646 3959512 4011004 2887168 7996669 3527581 4113696 4468835 4216395 2389137 4364420 3305537 3834175 4724841 3543651 4520080 2980365 3732204 4581221 3409768 3525012 2982376 4837768 6383664 4223412 3033268 2794101 6049045 3768641 4129420 4705703 4368593 3656124 5468654 3132437 3608483 4138996 4574989 4910329 4988300 4104982 3889879 3648978 5899961 3935971 4479044 gamma-glutamyltryptophan 361200 170999 240254 209952 288876 175633 319131 391535 251291 171676 178724 223274 308359 227265 272516 462103 170132 194269 357995 277590 363439 210751 294844 331975 246785 190748 192421 412170 208044 291688 365875 220814 195860 210700 199940 284221 211220 249618 510489 182758 236316 270356 256123 352490 266150 302326 gamma-glutamyltyrosine 1800791 1251246 1406770 1236148 2380735 2255831 1710106 2399658 1554451 1576293 1319009 1496071 1491616 1404567 3191055 1142578 1163765 2494524 1948090 1726782 1683673 2155131 1794726 1327060 1320086 1460220 2267235 1296018 2254142 1524533 1460556 1371534 1621842 1615953 1634734 1463389 3105208 1363595 1466094 1579761 2133755 2279053 1361876 2107923 gamma-glutamylvaline 5273850 4589095 5594386 4722883 4327467 2493397 5586379 4308239 4671567 3459151 2561088 3148882 6792609 2909858 5212207 5649775 2500509 2577736 9339283 5804407 7529728 4121034 6042780 5214614 4797610 4546729 4315064 3970798 3994076 4303559 3909888 4837888 2257366 6154134 3059429 5197284 2131464 5848552 5211952 2021230 2891869 7190832 4149232 4686868 4973077 5150685 glutamate 257104640 181768336 237177856 217246192 565933440 203926464 219551008 187489680 523759424 340731584 87918032 469924768 597527936 344145056 498083200 410100064 169405296 543199104 716482944 623254912 242070496 202419328 535769312 220327600 260865936 161212992 84600192 627989376 261130064 157158464 260035824 233805632 231902512 74710840 455585632 202371424 435009536 263926816 390390016 106453848 447367072 810222976 757103808 160577104 193546448 396504928 glutamine 2718106368 2369231104 2231139584 2275047168 2639650816 2732800512 2559693056 2734535680 1974849024 2504296704 2660326144 2216290560 2345015552 2732723968 2563625728 2706542336 2364067584 2493298688 2047763712 1993652736 2952924928 2944761856 2500416000 2635902464 2289919744 2168109312 2276124672 2648979200 2652610304 2405635072 2646256384 2125637632 2419565824 2646934784 2191847936 2747878912 2459093248 2933189888 2593739520 2273568768 2629067776 1994403584 2291055360 3069515264 2840516864 2678588928 glutarylcarnitine (C5-DC) 5955514 4352977 2846322 4658688 3745310 3544132 4028216 2970603 4312304 3743515 6750245 3396377 6477487 4272409 3677028 3845420 3853093 2221851 4347169 4469570 5600962 2359641 2442704 4511054 2979828 2805912 7327815 3516913 3227996 2985898 3929158 5172933 3661550 9033450 3299252 6453058 4475448 4840493 5815478 3977648 2079577 5069787 3626588 5417774 3225408 4609753 glycerol 3-phosphate 184917 392012 229312 220490 269403 443202 395742 482451 161563 245959 456468 184862 141166 170419 193638 392850 393331 182550 513707 204077 380985 379111 609324 540695 225522 397659 583660 185899 369606 406638 434115 404397 235036 502706 302485 460177 353725 445212 393541 510049 431345 342187 253362 368160 307655 532224 glycerophosphoethanolamine 4419537 2352882 5107608 6290955 4567106 4489239 3759222 2680751 6258638 6949318 2715829 6043618 7731857 6034027 3899150 2486370 3161384 6305017 3005689 4725949 1931071 2830291 2919915 2618347 4917074 4147771 3811972 5501475 3228729 4085578 2407804 2615241 6349155 2760339 5397108 3481478 4302537 3571272 2698956 4316878 3712858 2801807 5112626 2666967 4012317 3055945 glycerophosphorylcholine (GPC) 77100248 54743088 90651728 117042072 100195200 142813920 109318736 106715008 96784088 141921440 98992368 109754480 132713432 113885800 113829096 62797104 102742776 94393752 49729144 76748328 40456680 128872488 66311084 83687608 83676512 123866008 106017744 106544424 84728936 112946096 80833600 80241512 160251264 90088232 116411008 136948352 121164632 146944272 82950208 187344192 97165664 44076476 86834688 85853264 113934800 108115904 glycine 179493088 279965984 235979232 177175296 127273736 194066368 140725904 128876128 124417584 130457928 172637392 157939344 139647584 224245168 212758736 98239808 117421712 124409704 78598936 81665920 142739696 126212848 86163248 191598224 270250304 231628192 192038336 118155712 188037216 126654336 137856080 122408072 142825072 156020512 146914624 168993184 207026768 269874624 104954856 128998864 130677072 79869424 98397784 211406768 166488560 98906592 hexanoylcarnitine (C6) 7849156 5923455 3221349 2876392 3249943 2785946 6730814 4901376 3737999 3042818 4011151 2899885 2481185 3346862 4933789 5872352 4977799 2538331 4615151 2710811 7128797 1811915 2900879 7720196 5706792 2557200 3419362 4760130 2742601 3987258 5555205 4290588 3458988 6058003 4482135 2197961 5084700 3402183 5800863 3714315 3918976 5233234 3273672 6357505 1927025 4537930 histidine 1022739968 1203481216 892082688 874329216 940279424 1027138560 1033495360 921552448 872982976 1075457920 1071746496 1104445696 1005177792 1037454144 916822976 1099933696 976408896 1071988096 1048894016 976358336 1175360384 1162663296 868944640 1066856448 997049984 846633344 936192256 908589888 1079062144 1134638848 972572800 1005292096 946190400 1056013312 1008369728 1089379200 1030481728 1087097344 1003300096 931942528 1065803328 1132522752 958208256 921475328 1266141312 702357440 homoarginine 32626900 15481154 18361476 22393570 33845780 31549600 26614972 38950640 44494080 35946536 25295412 29664698 25943860 25170392 22438492 48373416 41818396 26771592 47998436 34600444 38454696 52001440 26701424 27213530 18743228 21924796 16275253 26134602 26005978 24493854 39407664 42770632 17568008 28095352 25416172 27102272 25310422 41731056 45882092 33504724 23048096 44870316 33795304 20626970 38786520 31845324 homocitrulline 1050218 218029 411102 530005 309801 577307 553723 293089 669581 583760 479753 535269 745532 235035 249471 439121 223162 331560 2651738 443130 1114297 454341 316531 350392 316785 262631 432557 421013 507108 844278 217507 538438 459726 445872 275411 574398 260157 712961 508952 267133 542298 1297369 608959 392213 691355 351019 homostachydrine* 26850044 5194872 8232233 14596191 7854616 6387210 6232616 6797470 6302619 8524239 4126916 9127646 9304935 9967871 3615416 9533824 6072255 16312805 46954276 6544645 10496810 4882912 9991256 11306423 6666222 11098165 14616806 5210069 3457044 3940624 5361743 7010404 5209822 6579157 8188216 7763984 10277438 7258072 14774973 4332970 31638062 11603612 3874904 5990164 3164534 8277184 hydroxyasparagine** 3654232 1919557 2114063 1636439 2786088 2233544 1973514 2433352 1930582 1976619 1917153 1769175 1669426 1782004 2327751 2426767 1567951 1317848 4453682 2474875 2496356 1654165 2010006 3163554 1892969 1979313 1565526 3115945 2251351 1832258 2137591 2125187 1799853 2173739 1581974 1640342 1749750 2687113 2460034 1593652 1466219 4144865 2536670 2240286 1855756 2530101 trans-4-hydroxyproline 56042104 114010736 62973812 62123968 74448656 38306636 71993488 84040680 64902940 41630052 88599656 54527792 51692172 48064856 74319320 65982664 46982848 57027756 172867168 53140420 74524856 40090936 47448420 75205864 57170288 92782680 83471632 68167792 42062292 120765728 58301184 68041784 51610008 104495928 54905380 57333576 46975380 148388304 77084768 65715640 69059640 130045760 50760236 53599612 41196116 86111584 hypotaurine 2133866 420751 2428647 1741394 1306914 1117774 547896 906135 2810815 2154861 741940 2985595 3294210 2914157 2149099 910039 1066687 3785530 674414 2508684 697902 1272814 707837 832313 1545694 655840 316636 2120643 1069052 422016 966730 255058 1521185 513817 1390335 576593 841733 1024027 1429984 630143 733129 379555 3133631 1221449 4672511 722015 imidazole lactate 13356774 7345935 14135144 9365450 9595874 7361342 8040005 8664169 8415381 11028218 13808802 10502334 12959743 12694912 8594343 7313331 10091627 9342215 15152373 8480042 11266198 12289620 4764038 17543200 8195255 13657958 12041647 9795684 8010308 9595875 13111037 15783896 11973258 16989408 7341856 13185592 19529892 9452522 12477413 10702452 10402723 16331287 10348354 9151591 15661555 5488381 imidazole propionate 1016517 523497 651460 280673 859274 542802 357662 3118658 307028 478881 711371 732118 575048 1231660 1197781 443277 5047826 1173834 663046 4159253 832345 608131 1435283 412631 690230 295952 734729 458417 1670988 291938 504503 492403 753475 519667 756409 1134554 1272066 695523 2221884 1143921 818541 1851979 773693 916768 iminodiacetate (IDA) 50049872 60754688 48879840 54704760 29214244 30874884 30743350 27998652 30642338 31212740 30411848 30960898 28697812 32612804 27870396 27825614 29317218 27285500 28386852 31369684 32757358 34258936 40263956 29285288 31976666 31717654 36834968 36750144 61694448 41638044 48026604 57152108 50109172 52671336 52349288 60232480 65552892 58284744 58574828 53187436 62655212 59865032 61388224 61429096 63996888 57620440 indoleacetylcarnitine* 404578 486338 459812 664985 662660 295208 341364 391373 734635 222495 383493 531563 619116 793956 535720 289276 283352 359072 1603353 390799 1617106 286689 374888 215298 368654 188111 230095 400788 270715 342514 402606 588236 157066 335884 297948 396873 574210 232720 230212 616221 730042 1240441 431500 712613 145196 294175 indoleacetylglutamine 492109 207863 846496 706643 638163 528170 262992 382225 302564 168552 1062505 242058 877843 800604 512585 403893 447726 392918 1909004 331215 2185480 274063 348900 371529 137465 559145 222890 476082 208097 434313 378985 359655 161916 1508789 197961 585530 455105 603279 246547 748419 908485 3207506 424496 1526960 125523 387605 indolin-2-one 159318 316690 355295 612113 470511 208389 67913 89339 114308 213132 96598 188844 417920 423498 466254 175456 114127 537868 275574 69039 204465 189297 144605 412268 180046 221620 205134 189898 226827 155407 130995 226511 574690 687468 536072 127590 248094 298450 224319 83110 73925 isobutyrylcarnitine (C4) 14245824 4763111 13821926 12407352 10473084 2616203 12066229 4827353 3703588 13861691 11403063 10072260 20479712 9570267 14314814 7690543 16964464 7477272 31436576 8871417 12744392 2252760 8086526 13513576 5544111 9464313 11666570 7877036 3515180 23713972 6805417 6389683 11962423 11189238 8004093 20439080 12509372 17315712 13267742 31826372 11930640 29500300 8061415 4326238 3240514 4560946 isoleucine 798891520 744449600 709057984 665325888 634974592 572705216 609566912 746949312 700255104 632729280 629683328 733454912 773822464 590181632 825609024 676469696 558246592 697719424 940349696 625132416 888929472 613714048 899263232 1066763648 676316288 670013952 615460352 636397248 614042048 754363072 749714176 677819328 614161280 712777664 627562816 850619712 628731008 825602368 641995072 515117440 660239168 905856448 608681344 755260032 628541504 933202176 isovalerylcarnitine (C5) 5187193 3263215 6144214 6032179 6470357 2644410 6474662 5606509 3902569 6597350 5043815 9057788 6932278 6501246 5366315 9354927 3760711 7334899 18233632 7227929 7851080 1973070 11382003 7929846 5247075 3778991 4913954 6105045 4812059 6717167 4632510 8670496 6497607 4941713 7280902 5404176 6800302 5353997 13720725 5294120 10272071 12562572 7517197 3847327 2214152 6209480 kynurenine 43115512 29975220 38774488 26336612 43791548 31252904 30530192 31932000 38036288 29214322 33004804 35972560 44294732 26529080 30960642 47005528 28132840 26027548 62685756 33363336 48638640 24868400 44095204 37107448 33449020 39029960 25579326 38626344 36729280 24748716 35458420 32897660 32148728 33053988 32864002 38522544 23084960 38613888 48672296 30776512 28840898 50796528 35232700 37388084 23947588 40094872 lamotrigine 607789696 9609501 113357 39397524 575314688 lanthionine 218824 65274 567103 205147 407102 164473 141809 181437 252843 671422 179981 135346 288033 286230 59791 113933 64560 372000 204226 284785 727705 153383 588108 20888 192072 159595 82712 188466 159374 leucine 959797376 857059456 834746752 757180288 764382976 696314176 706851392 807045056 751104064 815060928 769773696 860592960 1043211584 668095808 885287040 705257216 720036352 855780736 1072815936 778782208 1106496000 777428224 999799296 1194982144 836986816 737113600 725362496 704041984 689984128 786565760 852369472 788677760 728498112 830828544 768646080 1046420672 678779008 937132928 711564736 629948928 871317120 974953600 715034048 772390528 791171648 827956544 leucylglycine 475580 77510 197434 278020 261772 119165 100750 77595 241479 333156 106964 412761 339013 267627 232840 105296 187714 252041 292928 101098 85626 123439 123684 239832 84451 92528 127461 355439 247219 125958 129064 78011 118304 98519 240432 281107 levetiracetam 130886 172418 118109 3441618 310906720 lysine 955306880 925882048 717628288 746808768 1060254208 930949184 878842304 1001193984 834498688 813639424 722898176 857446336 817048832 803137984 913910720 999250112 856333312 780087104 894138880 928971008 899907840 821216960 900915840 1051861120 901840576 718545792 850005888 964060736 944179072 824734208 942857088 882532544 965402624 753202560 739473024 959144000 873898880 973007744 977059520 839306240 862731392 957062656 872701568 695775488 880810368 917910528 malonylcarnitine 233184 208637 167655 185282 144033 197906 164750 159969 181803 173717 122473 259134 175855 203253 238141 350880 192220 141263 452513 223145 243828 222606 364712 203562 239719 127082 197021 282795 415772 328140 211612 177344 113159 248566 185186 226998 164867 378379 205544 137132 332732 310637 193917 192728 364620 methionine 393724512 380203232 387163712 346144672 370860448 426112992 325588672 365558208 338148032 337411776 356454144 413597440 399772832 440288160 407532992 424183104 334158976 382433568 389138656 364729984 451709696 381285568 414930848 592901888 376798080 351750208 310811296 376068736 386243776 345476736 358984384 344177600 378049792 346366016 380054272 452620832 429500480 499207744 434889600 343875456 403148640 361348896 399100096 483667936 395311680 435733152 methionine sulfone 3568195 2374441 1867996 2454966 2044066 3080873 2446642 2753066 1840264 2303178 2574298 2301338 2438789 2703341 1870713 2009421 2532249 2764740 3191636 1504898 4833647 2663345 1258986 4751336 2612544 1885576 1926921 2390199 3365085 2088446 2255934 2117067 1694168 2803531 1703972 2264957 3602618 1995934 2442929 2226847 2782931 4480642 1439657 4933181 4903075 2432332 methionine sulfoxide 5630314 3647077 5678248 4010877 5437743 5017865 3533066 5428928 3243058 4250214 4268189 4553593 4901187 4166232 3840992 5232324 3955751 4317065 4956480 4006026 5642449 3528630 4192381 8378317 3384042 4909405 3620625 4880924 4356911 4264055 5146398 4000051 4052574 3448526 4328733 5232241 4781434 4564487 5139563 4354485 5061195 4529500 5086183 6139776 3481917 4425817 methyl indole-3-acetate 458520 207201 364288 394073 632032 1001329 592776 828382 387026 608362 858658 461832 366942 313507 658427 703806 224052 390297 1144294 353067 1381958 302041 295969 616850 131611 447325 276521 435058 564339 848444 674432 371676 197497 708063 448607 389742 279642 488661 441370 333811 552100 1696232 399879 1028747 175605 541104 methylsuccinoylcarnitine 719279 693494 859320 791120 304939 634342 264899 464074 234926 1074753 672526 763641 843520 247230 569242 238459 588264 587365 2133571 589832 846219 486573 290826 601607 673578 773119 623564 317662 511734 345744 474706 359582 820969 539187 892670 762999 304770 742983 382393 638962 549138 3018837 914948 522609 329524 290198 N,N,N-trimethyl-5-aminovalerate 75361112 125248536 97282096 92528376 112673160 110921120 110245168 80761408 63455176 157346528 72900992 63856344 108437864 160649696 53529472 109444056 113739136 93035160 168056048 106509008 217492656 41349948 165218960 80981640 151279184 105811760 92493752 110516592 104348512 127958696 99272096 69234576 150622832 112344752 60481624 132920000 193473728 67933864 127993888 132514960 109380376 155006176 91858016 206181792 41583400 130955080 N1-Methyl-4-pyridone-3-carboxamide 14464621 7091102 17419396 18970376 25751524 15652997 14426540 16945888 17203556 20556956 12840977 38532584 15100056 9646292 15309599 22090764 21737908 14435421 27281926 17677582 26341980 13490027 11725879 9622002 11298754 14252660 18906804 11935212 10963270 11401168 18391256 22108226 16662717 14861633 21673008 17786712 8983248 7959700 16984372 31217938 16675466 34077780 10758349 14928754 6721979 25045564 N1-methylinosine 642841 408651 419717 510685 998128 497279 559970 974417 616192 405940 831157 694402 609894 259326 998337 1324781 746862 719977 799475 204356 519946 264434 871220 614345 342080 557630 365233 745111 319607 613923 392174 509814 226838 925730 459716 487008 348498 850066 625119 302085 661884 668416 399725 536822 261808 1261039 N2,N2-dimethylguanosine 2378133 1662485 1649570 1201281 2060296 1750900 1610960 1951704 1437521 1371949 1713829 1478623 1536509 1328235 1685907 2451808 1228677 1241787 3169249 1650796 2402900 1378087 1742460 2014832 1613176 1686510 1261296 2294469 1657891 1745984 1831387 1494844 1520996 1923947 1542494 1520216 1516268 2372045 2466383 1384330 1513725 3377094 1705214 2085261 1253903 2502675 N6,N6,N6-trimethyllysine 46861500 32705106 58395768 53681780 45488088 28420124 26522936 29345084 26451728 23139104 21359732 30894792 32772310 28697374 40048064 45433600 31212526 23649976 86228072 30251198 41104120 33379272 59229728 88730896 38117704 36332448 30136952 31962984 31467736 35642288 28452906 32670356 24319520 35086456 27337164 37979968 29677886 59218012 41064828 48821064 30268696 50589488 54345928 30446656 30214130 46019868 N-acetyl-1-methylhistidine* 610851 505384 1591299 804817 721725 1000906 541868 263660 263194 837036 1311585 1761597 593194 323240 715574 1037196 951677 68241 529579 958343 111249 224193 746454 931227 714878 1127338 543877 637459 1046472 696434 298403 554897 775341 1449662 1662104 507897 429666 585862 684485 616361 674564 852097 328551 1022346 N-acetyl-3-methylhistidine* 778280 211998 2055046 680001 544854 334582 98184 142979 191017 83265 93528 644481 98450 82524 702213 159594 1111363 179521 336060 728764 603961 173905 1163278 523830 322680 397147 140054 409698 162183 130673 619493 378001 2250701 1086488 384421 360827 300010 142998 879444 176565 422499 110840 N-acetylalliin 1939776 517361 163376 370896 186022 163788 621136 594335 194240 87605 186566 300382 437612 487441 580659 309286 42900 168817 600855 136495 557862 135226 872960 5097415 957354 51039 195765 374485 971966 123766 281556 701190 661966 38505 N-acetylarginine 5757414 3915402 8022569 5073208 8034561 5332448 6109354 3981699 3387674 8042089 11131342 8406352 5296041 6547803 5114737 7122591 5884119 2633547 4032337 4483525 2267405 3727223 4839065 6026662 4801611 7111600 4455208 5217238 5664654 6244115 4248900 4804991 5765726 9099680 5904666 4201150 7014096 6700531 6715725 7238786 3944416 3167357 3701267 2575566 3524047 3139952 N-acetyl-aspartyl-glutamate (NAAG) 71826 79326 117771 62983 133531 66412 225464 54840 140638 87719 73167 179944 162250 154824 98203 93690 150349 201547 105333 237742 123412 102320 96196 121794 69618 99014 92205 244503 101846 63530 131621 107474 116865 152700 148936 152084 138099 63018 136808 184922 124517 201364 136292 91963 N-acetylcarnosine 5257156 4223983 3744629 1930576 3321735 3261020 2624863 1725356 4370141 2324516 4631500 4464861 5410006 5915349 8686961 7754747 2618044 3148187 6115649 4983285 14064287 3441455 5502408 3434982 4003406 3145878 2281677 5296250 2592018 2637238 1705516 5391695 2585399 4891665 4150900 6216709 5470732 9761960 6367403 3036048 3896188 7019311 5241192 13418942 3301770 6748121 N-acetylglucosamine/N-acetylgalactosamine 1563430 875943 973774 722672 1153600 1151235 950833 1261180 1185540 1111952 935633 1017570 907412 876335 1370285 1206851 758635 811730 1503434 1286114 1355919 1030249 1124648 1195404 818299 918779 791236 1324219 1003139 924394 973306 1176999 936110 963518 824086 747168 758553 1811976 1074585 655152 766292 1298947 1381079 1552613 1079648 1254163 N-acetylglucosaminylasparagine 336573 206659 293113 260749 257060 161710 233176 121900 220503 229331 241736 218997 288953 264749 141226 263872 181265 292686 535377 289953 181664 193483 163753 212466 246335 223723 118132 335265 196240 250853 188130 115232 162998 266688 245008 134485 275283 153921 257341 139221 195771 509916 264779 141748 274721 161288 N-acetylglutamate 492234 390611 588390 402114 499401 421633 486518 540858 426768 361837 392993 336484 278184 437996 513769 543933 371242 323410 480861 318258 420953 229129 419054 649356 314478 499875 430368 629497 462825 508394 530495 351479 368358 466216 464379 289194 424093 489836 530619 535074 193225 566458 240336 451499 254917 480557 N-acetylglycine 10332220 26356194 7156643 18883120 2829640 4706840 3276312 3201576 9177141 7047018 2629655 5261863 4197106 6239448 17366448 3680411 5283999 2262740 2987238 4153138 4913141 8149296 3098150 18028130 36104752 5449106 14403258 3234416 5784774 3055858 3608346 8121728 6060528 7342813 8180993 4342585 9842961 6917382 3006249 3168642 3563248 3280175 2490027 5030425 8245430 3407658 N-acetyl-isoputreanine* 6352445 3897586 5013191 10598826 9435844 13984537 5936821 5741600 8611088 9749613 8765675 5280759 9850329 8859372 7597747 7226001 5437835 3955886 7895481 6254908 6962839 5151363 4062580 8848843 3552243 5560472 9301569 10216069 15574222 5382051 6665037 7117850 7381755 9441316 4460954 7970100 10662341 8015193 9272764 5818530 5525698 8755251 8035669 7589138 6514922 5021989 N-acetylneuraminate 3735460 1675655 3229115 2557678 2730416 1671842 1804906 1854882 3186149 2242666 1807891 2627162 3583862 2961795 2185300 1874528 3391583 3162191 3188464 2543976 1887678 1680915 1776614 2335403 2519497 1853794 1531534 3471279 1871115 1755933 1841220 1488920 2127412 1911201 2601663 1382080 1567539 2151300 1972782 2041710 1821148 2832199 2877219 1914512 2255353 1954613 N-acetylputrescine 4671113 5326298 3311547 4384117 3249193 2763036 3978410 4003930 2186229 2874027 3621529 4302351 3188002 4417680 2630576 4352776 5415302 2094480 2687218 3486406 3406689 2484516 3624986 4756466 3837811 3348075 3370135 3352264 2877055 3630467 3687413 3015388 2744317 3971515 4218395 3266517 4431387 2922563 4075804 5709449 2515141 2328964 3485986 3131583 2415218 4568409 N-alpha-acetylornithine 95349 91571 66794 137094 66057 120145 49260 130629 59889 73088 63608 59970 97506 155043 100305 73292 61880 101832 39513 157283 83351 86169 42645 91466 84270 61022 N-carbamoylalanine 96622 30140 50246 198108 91609 120099 57231 204076 80837 187190 52675 196127 106864 130242 46918 177267 106118 98544 282225 82652 65020 53622 276181 95851 153681 113593 40688 nicotinamide 6654575 2200154 7051646 7768399 3868646 2510496 1539060 1930247 9543078 8218373 2052503 11330028 10996200 7284662 5447123 2179464 2269544 9815699 2351851 6830724 3387213 2686173 2548644 1042195 5958855 1773427 1626301 7399675 1664748 1902097 2199494 1680055 6737083 1429188 6311356 3701049 1172643 2791001 1464260 1096642 2091634 2139085 6686217 1342628 7488403 3369018 nicotinamide riboside 111897 153460 60576 108034 64317 227146 70375 87422 63570 97947 123448 70612 40229 54561 91345 42147 60536 131014 72975 86785 126500 30139 95363 73043 56002 84827 159260 61284 N-methylhydroxyproline** 3794960 2235519 1849772 333018 889258 289158 454692 326361 239650 660831 359016 2339738 226433 260661 3846110 5413674 1719196 1379473 336445 3593934 1783976 953612 1764751 818811 2793015 565915 4692918 655174 4824835 520308 603006 4063637 1368075 2002891 1785141 6333607 120530 7094917 2625329 1055122 690295 186650 N-methylpipecolate 3568856 1626886 1579012 3357958 1979339 9813225 4476247 5624594 7867390 7403960 5849474 10100739 2772610 1514477 1649704 2414925 1977052 1320333 2473613 2448920 4439792 7190659 1403566 2245889 984800 1353152 2652290 1587051 7810439 3197438 4479110 11292086 4496715 6686452 6457307 1839150 1957472 2289781 2468467 1537040 2127165 2486772 2249728 2012950 6540558 1694218 N-methylproline 83024896 76990920 63182280 8767978 17462900 8695568 17032136 10674053 9692505 10532274 21187970 7386190 12938454 67413032 8606027 8329372 6123561 4793982 88549272 113339840 60879072 64681616 7700091 75991048 69586464 18474992 62715748 16876574 73878440 18025080 92988496 32120370 134578880 6710615 26043344 82486624 38962052 52492272 70393272 98407408 12433896 134810816 70392832 51994052 29057576 6547991 O-desmethyltramadol 13604611 41833 10246160 13546855 O-desmethylvenlafaxine 45753308 165425 42346796 125398296 ornithine 320709952 279557920 342176480 232116384 413619680 291272832 336687712 263397120 266666048 293144992 301791616 283372736 223003616 301479264 283550080 281914848 212651856 274599232 286003840 285033376 369528672 244915520 310152480 369793312 274129664 305676448 243798848 382163360 282866816 292128096 263574304 293773888 299572064 289457536 281538144 237640320 299191648 302971808 293704096 244504960 294074976 238068368 263958400 338739840 214476752 241451488 phenylacetylcarnitine 714046 110536 824361 2917527 2157292 769596 1637183 991071 310323 873480 942014 1614061 2087875 1008418 1903420 1387213 1616440 701080 5591952 1730472 637746 135568 1224488 955932 215914 305893 2842802 1108945 618363 3214713 890062 716775 786181 626627 1056746 1543546 1782013 1753059 2639815 2454881 1278860 2109368 1202958 245550 374593 544599 phenylalanine 945036480 884983488 946338048 809802624 891171904 966288640 796891328 885536384 830780928 839838272 804758528 980316608 952735104 841891328 852555008 1107648768 833297088 864476672 1090095744 924059136 1045271360 854428928 920897664 997308288 893035520 866183296 764247616 820896000 926686912 856876928 888065472 890424576 828611328 874082880 930111872 990099520 876241600 972458816 1076629120 851610432 871513472 947691840 904578944 897526912 887583808 929667584 phenylalanylalanine 73509 57017 91203 53745 99793 72998 74219 57159 53685 98455 70712 65799 55065 82019 60839 62248 51143 82640 91052 60974 64492 56889 64834 78309 62665 63234 68407 83133 41808 111306 68835 40153 47697 49739 73626 75798 46621 phenylalanylglycine 138230 111730 160358 111212 121370 137899 108407 135909 158371 145783 170530 149708 146979 133731 98947 106140 123768 93417 116780 117430 138124 105065 90324 141521 105268 128586 136103 128539 78636 99737 127974 111841 185734 103444 133534 86789 145717 138248 116668 66623 141408 101317 109079 58535 phosphate 201456224 181395904 194761216 192443232 170366640 193244976 185264336 194226736 148816032 195475648 172794960 180546272 166643440 160025552 141699648 134419104 183035136 163034336 179146304 168324816 165022064 192404608 153394928 194138320 171286240 176645696 205883856 147215840 193935808 162357232 189284528 160614720 174042224 191362560 170401808 161047024 169657296 159220192 132962592 205509296 174738704 148874336 156597136 171181360 189369024 140892624 choline phosphate 7983996 4289358 11067112 10919573 7003323 5470946 4201507 3336270 11508903 12074565 4812177 10836304 14765636 8532555 7273280 3242342 4874882 12722493 4472063 9269311 3471199 3381797 3644629 3850295 8095230 3710151 4817702 9798162 4703230 3696871 3460565 4635870 8237962 5594893 7798370 3555587 3540534 4191577 3467221 5039475 4403673 2886737 9700630 3312819 10152823 3124206 phosphoethanolamine 17636396 5371945 20261926 22093524 11707605 4296131 3489880 3884990 24775972 21841108 4009865 21172554 26667020 16105979 11910877 2733627 6471551 26056996 5749444 17875054 3219944 3267093 3614949 5271307 19455272 3554805 5659231 17333768 4125637 3397254 5387509 5522913 16439482 5770461 13275139 3363535 3279150 4065627 3787217 5039791 5010021 3084754 19496168 2956548 17347212 3666446 picolinate 528264 487609 524357 377353 878112 1078616 576399 383162 715833 441266 1098959 514173 532321 376458 523574 813729 582778 449621 524309 503946 859923 439292 594040 755480 460746 415817 371729 840342 378020 422810 429096 572951 344706 584863 548201 457651 406202 494580 785368 943266 640083 599621 507576 790826 476819 516115 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 1050734 202463 530282 415085 310289 763009 243996 327563 300299 546671 311283 359861 410234 599066 380122 203307 154143 152232 816788 374238 281340 292171 200018 1068036 168352 407719 311720 172004 849381 279802 392336 387661 988218 536927 540665 508198 717107 433572 683724 318504 147135 1071520 697425 549718 320362 597072 pipecolate 56816204 57058996 57717912 48637844 66467224 37138496 38914448 78717944 110379888 122103320 53095080 68812440 151512816 105456328 44253632 51754708 50035880 74906888 64050536 47895608 56493100 80881280 33268370 44736036 52972044 46916444 45674720 32653482 382711904 36167640 56337164 58181836 156526944 122407704 51397712 88961752 57223516 71189616 53210472 80451696 61445756 81018048 46499948 48168892 153377920 31205164 proline 2149678336 1746810496 2057237888 1415679104 2050359552 1450447872 1436029184 1870306432 1628846720 1196315904 1696417536 1637812224 1775307136 1682896256 2267314432 1663488768 832726720 1447564928 2176277248 1464307328 1966591232 1662660096 1757813632 2011498624 1330195584 2013534208 1540242816 1808909568 1340951424 1444335104 1606032384 1670904320 1396588544 1721318912 1452094464 1746384256 1461116160 2760259328 1867907200 1212548224 1396853504 1604747776 1668538112 2245908736 1472494976 1555861632 prolylglycine 1310342 1263350 2856131 1637861 2021372 1195367 1222351 1237766 1082105 903340 1479690 916054 1223276 1080035 1457404 1244508 1210464 1712249 3094469 1594788 1364320 1313055 1668888 4689576 1021172 1243940 1289059 2291185 1277775 1686665 1328855 1059413 942017 2445835 1090265 966367 1868518 2114260 1644303 1430670 2730699 1924747 1091607 1468894 1122753 782609 pro-hydroxy-pro 25262404 8402336 23852302 16987208 12765744 23371582 12987320 17386752 15640774 16934104 16925130 20659364 20550312 21001158 23810246 18939952 15791759 14194368 35163528 10360738 18917776 17458540 14040908 26790472 13392809 27196930 17472480 27398508 24512996 18230784 15926800 13684052 18399786 19585864 19172808 19887224 22124224 25299960 15670626 13925386 17742002 19302950 14524853 18322088 18074960 10133601 propionylcarnitine (C3) 43313432 35302488 39191656 49110192 49645544 19095804 38242600 36966636 32737446 37093504 25728884 54249724 58359656 34736148 37005424 40698140 37934576 37363472 95843080 47334088 42780664 20940256 55345888 78348296 40204960 30485526 37030432 41750968 23964530 57198464 39455616 36511824 29266112 28919068 39908800 47637676 34097464 51331044 60747536 52219280 40876416 67063948 45124964 25329116 20744236 39896904 pyroglutamine* 386277632 54798132 115077528 102154920 97987352 111943576 84273520 55713132 77128392 129415720 198604592 333699328 228811312 318887776 340869120 225889920 135482496 106019360 194543200 418626080 235871600 275926432 243293200 291574240 60052332 117143616 85510472 111278224 143189072 77593576 91927312 72372992 134760864 215101952 241264992 299825408 355820192 343431264 289502304 118492088 150148272 186079184 377104032 226723392 333841376 300550432 pyrraline 449698 447153 247201 254662 177612 429620 339217 508316 231106 865419 178905 138381 294993 748042 70406 167844 399482 407981 123513 238306 193841 192792 383609 150477 668110 321002 286283 469363 1153186 292303 116652 243494 246145 168263 116152 277442 555983 206201 592584 343915 485920 175778 403699 291318 255347 quinolinate 957475 860317 1017217 546144 1611973 825329 783910 651828 884412 619906 913742 563556 716314 415333 833717 1341779 720231 496047 2731340 1487486 1683797 543709 1134146 920545 906709 884256 431982 1170640 1004319 770635 880813 678834 636060 801575 577372 478761 462631 891538 1019025 955042 576572 2627181 1335471 836645 678839 958713 S-1-pyrroline-5-carboxylate 1999906 1463083 908415 2561534 2568409 2609738 1623002 1209176 1223527 2376205 2049346 1063786 1009398 1974375 1834981 1408251 1175980 1023113 3989702 1003302 972701 1395558 708963 1703759 1247783 1370965 1734213 2149173 1514970 1873641 1827466 1426810 2310986 3306991 1185681 1146842 1963919 3001060 1174020 1520651 1811171 3959744 1289661 1650542 1376914 2267964 S-allylcysteine 10318218 1147154 861140 900525 2303263 1803123 1171328 2421055 1385676 803200 763536 654369 7816413 931635 8016938 2492964 65855 164996 183282 1656936 749243 5882704 1094139 1882324 2911286 3291042 807965 335793 245238 2672562 7357561 1928788 3413061 796635 5548471 774220 sarcosine 9511668 9237500 8973258 9824549 6682890 6517743 6132172 4846529 6218974 5493372 6251716 6406409 8339462 5481495 5921812 4813857 5588164 6635902 6556305 5655403 7416893 5719073 10321791 7039609 6767646 7698201 9004378 8735693 11217052 10584457 8504567 10719543 9182921 11888569 9711608 12759181 12150980 11593224 12125909 10740679 12567866 11947821 12471734 10241301 10710106 10322642 serine 189728320 220606496 180585488 176479552 151816768 190526240 169434704 144951472 165119328 184610768 141691024 176705472 164802752 213028704 154773424 128043920 120416792 131590280 110840576 131994504 118972376 146703168 152810400 212855488 216839984 150222480 179629680 130473328 184814480 154934816 159020400 159432320 200928896 149958720 160103296 156787408 212423728 141804512 148733696 123792024 161997872 120551312 137482416 159460544 175922944 167401248 serotonin 4597436 236563 60491528 1051612 248432 998683 8950857 6753301 7760430 12775238 1546022 5140029 1055583 5108953 589803 583751 138804 4787879 456695 562040 2281593 226967 128596 277608 3256082 3802906 74236 208212 202892 228433 164685 8703790 5344707 113485 S-methylcysteine sulfoxide 22232928 18949652 6522925 11049708 9987471 52117992 27508124 15752358 25862872 9361152 5896088 21947128 21694548 15127133 7221277 10910199 6123501 9950289 11375232 16742626 10268778 35038000 4888535 32423670 10587412 7426130 13175583 6347964 37376008 7013256 19571132 44303996 29233892 41987492 22348404 12751613 17528398 5982822 9316574 38254824 6035377 6356956 7759177 33800080 36432920 5934115 S-methylmethionine 1254262 811501 462504 1027951 5311422 719029 3688085 589108 287996 3012827 860613 1990295 938841 299335 361227 709538 170476 1487411 2317725 1629757 2270717 290961 463272 1701098 180417 343024 1919410 2094744 3166097 3491581 825364 378913 361657 677911 3071160 1232852 71391 558700 4772553 2874729 208000 spermidine 687528 158992 504003 591671 360622 181762 93395 67969 765410 702809 587544 595012 121076 487945 150586 138959 483138 264427 524877 169672 136461 64390 668863 158725 524170 193677 112667 132364 126950 442767 339690 155223 60329 150297 58199 83808 275615 275984 542997 175415 stachydrine 456386976 571193600 420418304 170902992 158937856 345271360 205249616 46371840 67621360 307975744 183739696 113508056 240177136 601004160 35617612 163441264 37219684 8597267 654739904 790300480 573589568 457421312 45698024 703060416 556508160 353173152 405009696 298979136 699891904 205212096 588620032 169768800 933433984 118299408 479834752 530222752 693484032 301937632 510342400 648875648 47896464 1153746048 622221312 586673024 519846944 29179460 suberoylcarnitine (C8-DC) 939594 155211 343221 261983 267760 690473 376712 416527 560261 205266 302610 149275 694277 257115 1029466 213353 864971 3535402 996934 2007837 163135 372761 1948358 291795 277612 256444 625381 980090 86613 570185 316331 301916 359893 677145 104805 826332 190492 857071 143414 116020 2820329 692736 1047360 175374 1037473 succinylcarnitine (C4-DC) 1371292 1065330 815525 778205 1326129 1261597 893521 1219124 789351 802300 1362198 1158599 1582053 1101542 1091261 5728912 1174977 1085187 2406250 1676675 1695912 1095431 1528718 1572910 905398 1048779 629343 1337344 1162467 1214315 1009419 711733 1471006 777055 1849923 942135 1734068 5139466 1361449 942067 1669887 1672518 1327804 1341605 2005621 taurine 217779536 90657568 222687296 244711568 164957744 94116464 102274776 67975872 255287200 215648704 88069728 239909472 248159376 212500080 167658304 63897592 124811992 251052592 89883016 186410864 70164088 77704608 76343152 119382672 217121568 85247376 95047872 221355632 89396560 94322600 87251072 101628136 183465552 86445360 184056016 94555304 80548208 92783696 83092016 97652544 84911616 89661240 218411696 72980016 207619840 68950416 theobromine 5350905 10074672 58318556 20887308 43580612 58354888 47052812 50252464 64010676 45324320 59075604 23005698 51309800 31383686 40459196 165854400 32369274 19825574 72386272 179016384 2524745 94088192 222913856 19904552 49435588 5695851 108554752 61253692 72861648 36315880 16024959 19175804 142679936 209754608 59075568 109113208 55048564 114622504 14894031 44109440 29915144 46906656 68829152 1839398 20125210 thioproline 5209078 6852635 4906664 6262238 5806933 5340412 5040572 6957139 7732857 5985254 5098215 7232277 8183718 6220246 7309481 6449883 5688575 7308020 5229972 6566625 6707706 5685797 4899214 4854279 8796911 5631380 4715467 5633950 5898017 5142203 6466690 11301997 7601301 4789413 6891026 4994871 4340480 6985695 9023280 5489221 5945375 6246421 6353446 8564334 7097758 6086968 threonine 649228928 563167488 574866880 394369952 880500544 468555936 551075072 585964800 577336960 369523936 546933504 456558944 531484544 560844160 455526112 477641376 405766912 494945728 469662304 448207232 515732288 407676192 617549824 825611648 558334720 441014368 426784512 587813888 430661760 507044640 522725920 581331072 527975136 623914880 383474432 540938816 547691008 605629504 502124032 650242944 585971200 414998752 474969568 707021952 498686688 515470528 tiglylcarnitine (C5:1-DC) 1281969 1195837 1351715 1588149 1741044 675598 1002848 510513 892339 827166 924186 1095240 2027760 782265 1623936 1327847 1698907 1105583 2796093 1589008 1417096 391252 968040 1172014 1230456 917689 1294161 793300 794587 1149057 740630 845716 798006 1151964 1391526 1656735 1185490 1493845 1809131 2078550 1232347 2914383 991206 682459 411247 968070 trans-urocanate 1475205 11139735 2657485 3175896 2008041 1472501 3770479 7788067 3487606 1193126 4084752 6463108 2597183 1173465 4610758 1849921 3700075 1575368 3872374 1931450 1557338 5769960 2524686 8397831 3637222 5383073 2189296 3443090 7721915 5923298 3963396 3528363 5282930 2740572 2538661 2789260 9055238 4483538 3183625 1138930 4042385 2662675 2857892 2914291 trazadone 51270160 106876224 155174 394777 76790168 520944 87469320 trigonelline (N'-methylnicotinate) 18562900 18391372 58090660 170964816 13543956 16292492 6055306 27788112 13505813 203826960 45821680 44968160 178330352 78496496 126903928 92550592 124129280 19756428 10800186 20687884 24773866 11175654 10385233 27112420 22586884 95006608 73563200 30765264 59479280 10037159 55233212 9071795 101811928 44765300 181076048 124254632 121448264 135870160 102973696 123075168 36100120 44288504 42183588 14469256 23100248 2944452 trimethylamine N-oxide 58675564 16133558 40081620 37366968 275332224 38781044 65883808 25958922 93614720 32917128 55800448 23782500 40355600 28506088 39688840 20901938 36125752 57031632 141562640 53837856 22038926 39643872 35953776 108763176 23704068 42065896 60055732 47632328 34202396 55872136 32131258 53537756 75065880 42055200 29321432 35081004 32248236 75953240 33469838 56440732 65697012 74494008 34597544 60384632 21868052 30471348 tryptophan 499326336 487592480 515295232 550077824 468436320 518177440 482446400 474882656 442265024 514234848 378905056 642989824 650341696 495639296 522735680 588960320 534280288 507504320 588107840 509818432 632407232 545076096 613906752 547301696 447059840 460513824 403174176 522404000 546983040 379410592 504579712 490548256 464255936 436083168 561989056 662051648 431253664 561742528 602015680 516916576 495473312 520969024 487454656 457740032 526816928 606930624 tryptophan betaine 90241328 16214765 35269512 34095752 130638912 62110756 27126200 121643288 43061712 109114160 140368752 218492304 52645032 74256744 63110708 46728596 202303568 143744192 6089051 40758564 8483747 83039584 70496104 81449912 13977992 30254584 27867084 106696896 49255564 75506104 120824608 107542672 266096640 69471464 143543904 50042872 187306848 76703800 92474208 152660800 168147728 28921006 77464400 17543798 12412296 11261409 tyrosine 296699328 298209440 281308928 282890016 380515616 343935648 280475680 384637376 275814208 279358528 263535152 306612064 303803328 302493568 232621216 349610944 284681856 240784016 316267520 370096576 340488096 283352960 337468832 344345152 274604480 270354304 264521056 341296576 285469376 264121184 338126080 249181808 295117568 261010192 298176288 305171008 275743232 309817728 326151808 269105248 267919792 291559584 369943968 319811392 244491968 333588160 urea 479603456 448439264 432968992 562147904 588881216 427350912 476271776 267798096 345741376 364141152 609506048 441222240 461777280 414837856 639271616 460569632 465839168 616693248 997196288 589325248 626725568 321432448 518420992 482718080 399368384 332412544 500450592 362997376 470713952 518936448 380847456 421739840 321729312 604764032 384953568 371897856 470643168 561646400 429411360 632224576 681488000 1122521856 466733504 278178688 325985696 446332800 valine 1649643392 1480492800 1537532032 1316629376 1513786752 1017343232 1398412544 1521173632 1375503616 1287047936 1191423616 1498916864 1749003136 1057957632 1463679232 1210848640 1185042432 1409263488 1817531008 1425142912 1765955968 1370329984 1820669952 1923651840 1316272000 1258950272 1255021696 1243788160 1122223744 1424282752 1461493376 1554132480 1283573248 1449656960 1333917952 1674878976 1023785280 1645766272 1210323584 1145631872 1530619520 1585267968 1238162688 1134331008 1340777984 1268597120 valylglycine 294237 248814 153562 124174 valylleucine 172445 74263 133608 107762 122749 112695 110466 91636 84827 156980 129494 152547 148355 139401 81361 191643 79144 121562 107508 76675 112201 127311 82032 146680 74780 75128 116222 141118 113323 105291 102883 136905 124459 86852 111467 124442 119665 125409 138747 72606 96619 95124 93296 102130 102037 36759 metabolite_name SUPER PATHWAY SUB PATHWAY COMP ID PLATFORM CHEMICAL ID RI MASS CAS PUBCHEM KEGG HMDB (N(1) + N(8))-acetylspermidine Amino Acid Polyamine Metabolism 57814 LC/MS Pos Early 100016038 3080 188.17574 1-methyl-4-imidazoleacetate Amino Acid Histidine Metabolism 32350 LC/MS Pos Early 100001208 2064 141.06586 2625-49-2 75810 C05828 HMDB02820 N1-methyladenosine Nucleotide Purine Metabolism, Adenine containing 15650 LC/MS Pos Early 1242 2120 282.11969 15763-06-1 27476 C02494 HMDB03331 1-methylnicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 27665 LC/MS Pos Early 55 1940 137.07094 1005-24-9 10129985 C02918 HMDB00699 1-methylurate Xenobiotics Xanthine Metabolism 34395 LC/MS Pos Early 100001400 1461 183.05127 708-79-2 69726 C16359 HMDB03099 1-ribosyl-imidazoleacetate* Amino Acid Histidine Metabolism 61868 LC/MS Pos Early 100001668 2006 259.09247 29605-99-0 5117448 C05131 HMDB02331 2-aminobutyrate Amino Acid Glutathione Metabolism 42374 LC/MS Pos Early 1128 2059 104.07061 1492-24-6 439691 C02261 HMDB00650 2-aminoheptanoate Lipid Fatty Acid, Amino 43761 LC/MS Pos Early 100004542 3160 146.11756 1115-90-8 227939 2-hydroxyglutarate Lipid Fatty Acid, Dicarboxylate 37253 LC/MS Pos Early 100002070 958 131.03389 40951-21-1 43 C02630 HMDB00606 2-methylbutyrylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 45095 LC/MS Pos Early 100001509 3050 246.16999 31023-25-3 6426901 HMDB00378 2-methylbutyrylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 31928 LC/MS Pos Early 100001155 2000 160.09682 52320-67-9 193872 HMDB00339 2-methylmalonylcarnitine (C4-DC) Lipid Fatty Acid Synthesis 35482 LC/MS Pos Early 100001596 2440 262.12852 149181-64-6 53481628 HMDB13133 2-methylserine Amino Acid Glycine, Serine and Threonine Metabolism 53229 LC/MS Pos Early 100009246 1652 120.06552 94309 C02115 2'-O-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 57554 LC/MS Pos Early 100010895 2411 258.10845 2140-72-9 150971 2-oxoarginine* Amino Acid Urea cycle; Arginine and Proline Metabolism 55072 LC/MS Pos Early 100002784 1760 174.08732 663193 558 C03771 HMDB04225 2-piperidinone Xenobiotics Food Component/Plant 43400 LC/MS Pos Early 100004295 1675 100.07569 675-20-7 12665 HMDB11749 3-(cystein-S-yl)acetaminophen* Xenobiotics Drug - Analgesics, Anesthetics 34365 LC/MS Pos Early 100001797 2420 271.07471 5233914 3-aminoisobutyrate Nucleotide Pyrimidine Metabolism, Thymine containing 1566 LC/MS Pos Early 1114 2190 104.07061 10569-72-9;214139-20-5 64956 C05145 HMDB03911 3-hydroxybutyroylglycine** Lipid Fatty Acid Metabolism(Acyl Glycine) 62064 LC/MS Pos Early 100020211 978 162.07608 3-hydroxybutyrylcarnitine (1) Lipid Fatty Acid Metabolism(Acyl Carnitine) 43264 LC/MS Pos Early 100003926 2400 248.14925 53481617 HMDB13127 3-hydroxybutyrylcarnitine (2) Lipid Fatty Acid Metabolism(Acyl Carnitine) 52984 LC/MS Pos Early 100009271 2340 248.14925 HMDB13127 3-hydroxystachydrine* Xenobiotics Food Component/Plant 62062 LC/MS Pos Early 100020203 1049 160.09682 442640 3-methoxytyrosine Amino Acid Tyrosine Metabolism 12017 LC/MS Pos Early 1342 2555 212.09174 300-48-1 1670 HMDB01434 3-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35132 LC/MS Pos Early 100001466 2176 258.10845 21028-20-6 159649 3-methylglutarylcarnitine (2) Amino Acid Leucine, Isoleucine and Valine Metabolism 46548 LC/MS Pos Early 100005850 2687 290.15982 128145 HMDB00552 3-phosphoglycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1414 LC/MS Pos Early 132 590 187.00022 80731-10-8 724 C00597 HMDB00807 3-ureidopropionate Nucleotide Pyrimidine Metabolism, Uracil containing 3155 LC/MS Pos Early 1053 875 133.06077 462-88-4 111 C02642 HMDB00026 4-acetamidophenol Xenobiotics Drug - Analgesics, Anesthetics 12032 LC/MS Pos Early 1383 1670 152.07061 103-90-2 1983 C06804 HMDB01859 4-guanidinobutanoate Amino Acid Guanidino and Acetamido Metabolism 15681 LC/MS Pos Early 100000096 2320 146.09241 463-003;463-00-3 500 C01035 HMDB03464 4-hydroxyglutamate Amino Acid Glutamate Metabolism 40499 LC/MS Pos Early 100002544 1141 164.05535 2485-33-8 439902 C03079 HMDB01344 5-(galactosylhydroxy)-L-lysine Amino Acid Lysine Metabolism 43582 LC/MS Pos Early 100002462 2755 325.16055 32448-36-5 5-hydroxyindoleacetate Amino Acid Tryptophan Metabolism 437 LC/MS Pos Early 71 1893 192.06552 54-16-0 1826 C05635 HMDB00763 5-hydroxylysine Amino Acid Lysine Metabolism 15685 LC/MS Pos Early 100000054 2790 163.10772 13204-98-3 1029 C16741 HMDB00450 5-methylthioadenosine (MTA) Amino Acid Polyamine Metabolism 1419 LC/MS Pos Early 212 2752 298.09684 2457-80-9 439176 C00170 HMDB01173 7-methylguanine Nucleotide Purine Metabolism, Guanine containing 35114 LC/MS Pos Early 100001456 2175 166.07234 578-76-7 11361 C02242 HMDB00897 7-methylxanthine Xenobiotics Xanthine Metabolism 34390 LC/MS Pos Early 100001396 1350 167.05636 552-62-5 68374 C16353 HMDB01991 acetoacetate Lipid Ketone Bodies 33963 LC/MS Pos Early 1218 1062 103.03898 578486 96 C00164 HMDB00060 acetylcarnitine (C2) Lipid Fatty Acid Metabolism(Acyl Carnitine) 32198 LC/MS Pos Early 100000802 2282 204.12304 5080-50-2 1 C02571 HMDB00201 adenine Nucleotide Purine Metabolism, Adenine containing 554 LC/MS Pos Early 880 2221 136.06178 73-24-5 190 C00147 HMDB00034 adenosine Nucleotide Purine Metabolism, Adenine containing 555 LC/MS Pos Early 798 2169 268.10404 58-61-7 60961 C00212 HMDB00050 adipoylcarnitine (C6-DC) Lipid Fatty Acid Metabolism(Acyl Carnitine) 52988 LC/MS Pos Early 100006614 2570 290.15982 71296139 HMDB61677 alanine Amino Acid Alanine and Aspartate Metabolism 1126 LC/MS Pos Early 811 1700 90.05496 56-41-7 5950 C00041 HMDB00161 alliin Xenobiotics Food Component/Plant 41494 LC/MS Pos Early 100003473 1470 178.05324 556-27-4 87310 C08265 HMDB33592 adenosine 5'-monophosphate (AMP) Nucleotide Purine Metabolism, Adenine containing 32342 LC/MS Pos Early 209 1013 348.07037 149022-20-8 6083 C00020 HMDB00045 anthranilate Amino Acid Tryptophan Metabolism 4970 LC/MS Pos Early 1258 2606 138.05496 118-92-3 227 C00108 HMDB01123 argininate* Amino Acid Urea cycle; Arginine and Proline Metabolism 57461 LC/MS Pos Early 100002769 2150 176.10297 157-07-3 160437 HMDB03148 arginine Amino Acid Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos Early 231 2825 175.11896 1119-34-2 232 C00062 HMDB00517 argininosuccinate Amino Acid Urea cycle; Arginine and Proline Metabolism 15497 LC/MS Pos Early 232 2745 291.12992 156637-58-0 828 C03406 HMDB00052 asparagine Amino Acid Alanine and Aspartate Metabolism 512 LC/MS Pos Early 917 1225 133.06077 70-47-3 6267 C00152 HMDB00168 aspartate Amino Acid Alanine and Aspartate Metabolism 443 LC/MS Pos Early 234 1165 134.04479 56-84-8 5960 C00049 HMDB00191 atenolol Xenobiotics Drug - Cardiovascular 38658 LC/MS Pos Early 100002726 2668 267.17032 29122-68-7 2249 D00235 HMDB01924 benzoylcarnitine* Xenobiotics Chemical 43265 LC/MS Pos Early 100004555 3041 266.13869 105450-08-6 beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 55 LC/MS Pos Early 244 1905 90.05496 56-41-7;107-95-9 239 C00099 HMDB00056 betaine Amino Acid Glycine, Serine and Threonine Metabolism 3141 LC/MS Pos Early 799 1064 118.08626 107-43-7 247 C00719 HMDB00043 betonicine Xenobiotics Food Component/Plant 38100 LC/MS Pos Early 100002153 1012 160.09682 515-25-3 164642 C08269 HMDB29412 butyrylcarnitine (C4) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32412 LC/MS Pos Early 100001054 2860 232.15434 25576-40-3 439829 C02862 HMDB02013 caffeine Xenobiotics Xanthine Metabolism 569 LC/MS Pos Early 849 2106 195.08766 58-08-2 2519 C07481 HMDB01847 carboxyethyl-GABA Amino Acid Glutamate Metabolism 40007 LC/MS Pos Early 100003260 2085 176.09174 908055 2572 HMDB02201 carnitine Lipid Carnitine Metabolism 15500 LC/MS Pos Early 100000007 1978 162.11247 461-05-2 10917 C00318 HMDB00062 choline Lipid Phospholipid Metabolism 15506 LC/MS Pos Early 1256 1961 104.10699 67-48-1 305 C00114 HMDB00097 citramalate Amino Acid Glutamate Metabolism 22158 LC/MS Pos Early 100000998 1224 166.071 1583974 1081 C00815 HMDB00426 citrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 2132 LC/MS Pos Early 391 1520 176.10297 372-75-8 9750 C00327 HMDB00904 cotinine Xenobiotics Tobacco Metabolite 553 LC/MS Pos Early 848 2213 177.10224 486-56-6 854019 HMDB01046 creatine Amino Acid Creatine Metabolism 27718 LC/MS Pos Early 1221 1947 132.07676 57-00-1 586 C00300 HMDB00064 creatinine Amino Acid Creatine Metabolism 513 LC/MS Pos Early 275 2055 114.06619 60-27-5 588 C00791 HMDB00562 cys-gly, oxidized Amino Acid Glutathione Metabolism 18368 LC/MS Pos Early 1224 2947 355.07406 7729-20-6 333293 cystathionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 15705 LC/MS Pos Early 310 2270 223.07471 535-34-2 439258 C02291 HMDB00099 cysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1868 LC/MS Pos Early 800 1488 122.02703 52-90-4;56-89-3 5862 C00097 HMDB00574 cysteine s-sulfate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 22176 LC/MS Pos Early 100000808 565 201.98384 1637-71-4 115015 C05824 HMDB00731 cysteine sulfinic acid Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 37443 LC/MS Pos Early 100002113 597 154.01686 207121-48-0 109 C00606 HMDB00996 cysteine-glutathione disulfide Amino Acid Glutathione Metabolism 35159 LC/MS Pos Early 100001437 2465 427.09519 13081-14-6 4247235 HMDB00656 cysteinylglycine Amino Acid Glutathione Metabolism 35637 LC/MS Pos Early 278 2132 179.0485 19246-18-5 439498 C01419 HMDB00078 cysteinylglycine disulfide* Amino Acid Glutathione Metabolism 62103 LC/MS Pos Early 100002466 2547 298.05259 70555-24-7 HMDB00709 cystine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 56 LC/MS Pos Early 279 2000 241.03113 56-89-3 67678 C00491 HMDB00192 cytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 514 LC/MS Pos Early 827 2124 244.0928 65-46-3 6175 C00475 HMDB00089 cytosine Nucleotide Pyrimidine Metabolism, Cytidine containing 573 LC/MS Pos Early 881 2060 112.05054 71-30-7 597 C00380 HMDB00630 deoxycarnitine Lipid Carnitine Metabolism 36747 LC/MS Pos Early 100001662 2052 146.11756 6249-56-5 134 C01181 HMDB01161 dimethyl sulfone Xenobiotics Chemical 43424 LC/MS Pos Early 100004284 832 95.01613 67-71-0 6213 C11142 HMDB04983 dimethylarginine (SDMA + ADMA) Amino Acid Urea cycle; Arginine and Proline Metabolism 36808 LC/MS Pos Early 100001810 2850 203.15026 102783-24-4 123831 C03626 HMDB01539 dimethylglycine Amino Acid Glycine, Serine and Threonine Metabolism 5086 LC/MS Pos Early 806 1104 104.07061 1118-68-9 673 C01026 HMDB00092 ectoine Xenobiotics Chemical 35651 LC/MS Pos Early 100001635 1980 143.08151 96702-03-3 126041 C06231 ergothioneine Xenobiotics Food Component/Plant 37459 LC/MS Pos Early 100002154 850 230.09578 58511-63-0 3032311 C05570 HMDB03045 formiminoglutamate Amino Acid Histidine Metabolism 43493 LC/MS Pos Early 100002500 1880 175.07134 816-90-0 439233 C00439 HMDB00854 gamma-carboxyglutamate Amino Acid Glutamate Metabolism 38754 LC/MS Pos Early 100002679 903 192.05027 56271-99-9 40772 HMDB41900 gamma-glutamyl-2-aminobutyrate Peptide Gamma-glutamyl Amino Acid 37092 LC/MS Pos Early 100001502 2380 233.1132 16869-42-4 gamma-glutamylalanine Peptide Gamma-glutamyl Amino Acid 37063 LC/MS Pos Early 100001843 1986 219.09755 5875-41-2 440103 HMDB29142 gamma-glutamyl-alpha-lysine Peptide Gamma-glutamyl Amino Acid 55015 LC/MS Pos Early 100010901 2784 276.1554 65254 gamma-glutamylcitrulline* Peptide Gamma-glutamyl Amino Acid 62104 LC/MS Pos Early 100020241 1644 305.14556 gamma-glutamyl-epsilon-lysine Peptide Gamma-glutamyl Amino Acid 33934 LC/MS Pos Early 100001262 2725 276.1554 17105-15-6 7015685 HMDB03869 gamma-glutamylglutamate Peptide Gamma-glutamyl Amino Acid 36738 LC/MS Pos Early 331 1775 277.10303 1116-22-9 92865 C05282 HMDB11737 gamma-glutamylglutamine Peptide Gamma-glutamyl Amino Acid 2730 LC/MS Pos Early 1140 1430 276.11902 10148-81-9 150914 C05283 HMDB11738 gamma-glutamylglycine Peptide Gamma-glutamyl Amino Acid 33949 LC/MS Pos Early 100001294 1535 205.0819 1948-29-4 165527 HMDB11667 gamma-glutamylhistidine Peptide Gamma-glutamyl Amino Acid 18245 LC/MS Pos Early 1235 2740 285.11935 37460-15-4 7017195 gamma-glutamylisoleucine* Peptide Gamma-glutamyl Amino Acid 34456 LC/MS Pos Early 100001485 2940 261.1445 14253342 HMDB11170 gamma-glutamylleucine Peptide Gamma-glutamyl Amino Acid 18369 LC/MS Pos Early 1268 2991 261.1445 2566-39-4 151023 HMDB11171 gamma-glutamylmethionine Peptide Gamma-glutamyl Amino Acid 44872 LC/MS Pos Early 100001313 2640 279.10092 17663-87-5 7009567 HMDB29155 gamma-glutamylphenylalanine Peptide Gamma-glutamyl Amino Acid 33422 LC/MS Pos Early 100000491 2992 295.12885 7432-24-8 111299 HMDB00594 gamma-glutamylthreonine Peptide Gamma-glutamyl Amino Acid 33364 LC/MS Pos Early 100001314 1750 249.10812 5652-48-2 76078708 HMDB29159 gamma-glutamyltryptophan Peptide Gamma-glutamyl Amino Acid 33947 LC/MS Pos Early 100001295 2975 334.13975 66471-20-3 3989307 HMDB29160 gamma-glutamyltyrosine Peptide Gamma-glutamyl Amino Acid 2734 LC/MS Pos Early 1102 2518 311.12377 7432-23-7 94340 HMDB11741 gamma-glutamylvaline Peptide Gamma-glutamyl Amino Acid 43829 LC/MS Pos Early 100001126 2700 247.12885 2746-34-1 7015683 HMDB11172 glutamate Amino Acid Glutamate Metabolism 57 LC/MS Pos Early 561 1500 148.06044 56-86-0 611 C00025 HMDB00148 glutamine Amino Acid Glutamate Metabolism 53 LC/MS Pos Early 563 1291 147.07642 56-85-9 5961 C00064 HMDB00641 glutarylcarnitine (C5-DC) Amino Acid Lysine Metabolism 44664 LC/MS Pos Early 100001593 2393 276.14417 102636-82-8 71464488 HMDB13130 glycerol 3-phosphate Lipid Glycerolipid Metabolism 43847 LC/MS Pos Early 100000258 580 173.02095 29849-82-9 754 C00093 HMDB00126 glycerophosphoethanolamine Lipid Phospholipid Metabolism 37455 LC/MS Pos Early 100001620 659 216.06315 33049-08-0 123874 C01233 HMDB00114 glycerophosphorylcholine (GPC) Lipid Phospholipid Metabolism 15990 LC/MS Pos Early 100000269 672 258.1101 28319-77-9 71920 C00670 HMDB00086 glycine Amino Acid Glycine, Serine and Threonine Metabolism 58 LC/MS Pos Early 340 1375 76.03931 56-40-6 750 C00037 HMDB00123 hexanoylcarnitine (C6) Lipid Fatty Acid Metabolism(Acyl Carnitine) 32328 LC/MS Pos Early 100000781 3358 260.18564 6920-35-0 6426853 HMDB00705 histidine Amino Acid Histidine Metabolism 59 LC/MS Pos Early 355 2707 156.07676 5934-29-2 6274 C00135 HMDB00177 homoarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 22137 LC/MS Pos Early 100000961 2882 189.13461 156-86-5 9085 C01924 HMDB00670 homocitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 22138 LC/MS Pos Early 100000963 1908 190.11862 1190-49-4 65072 C02427 HMDB00679 homostachydrine* Xenobiotics Food Component/Plant 33009 LC/MS Pos Early 100001550 1750 158.11756 1195-94-4 441447 C08283 HMDB33433 hydroxyasparagine** Amino Acid Alanine and Aspartate Metabolism 62060 LC/MS Pos Early 100020205 1149 149.05568 97663 C03124 HMDB32332 trans-4-hydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism 32306 LC/MS Pos Early 1001 1064 132.06552 51-35-4 5810 C01157 HMDB00725 hypotaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 590 LC/MS Pos Early 358 724 110.02703 300-84-5 107812 C00519 HMDB00965 imidazole lactate Amino Acid Histidine Metabolism 15716 LC/MS Pos Early 100000263 2040 157.06077 14403-45-3 440129 C05568 HMDB02320 imidazole propionate Amino Acid Histidine Metabolism 40730 LC/MS Pos Early 100003434 2263 141.06586 1074-59-5 70630 HMDB02271 iminodiacetate (IDA) Xenobiotics Chemical 21025 LC/MS Pos Early 100000900 830 134.04479 142-73-4 8897 C19911 HMDB11753 indoleacetylcarnitine* Xenobiotics Chemical 62279 LC/MS Pos Early 100020479 3114 319.16524 indoleacetylglutamine Amino Acid Tryptophan Metabolism 42087 LC/MS Pos Early 100001731 2185 304.12919 25200879 HMDB13240 indolin-2-one Xenobiotics Food Component/Plant 43374 LC/MS Pos Early 100004318 2575 134.06004 59-48-3 321710 C12312 isobutyrylcarnitine (C4) Amino Acid Leucine, Isoleucine and Valine Metabolism 33441 LC/MS Pos Early 100001055 2810 232.15434 25518-49-4 168379 HMDB00736 isoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1125 LC/MS Pos Early 376 2800 132.10191 73-32-5 6306 C00407 HMDB00172 isovalerylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 34407 LC/MS Pos Early 100001393 3085 246.16999 31023-24-2 6426851 HMDB00688 kynurenine Amino Acid Tryptophan Metabolism 15140 LC/MS Pos Early 100000265 2739 209.09207 2922-83-0 161166 C00328 HMDB00684 lamotrigine Xenobiotics Drug - Neurological 54762 LC/MS Pos Early 100009390 3379 256.01513 3878 D00354 HMDB14695,HMDB05043 lanthionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42002 LC/MS Pos Early 100003892 1730 209.05906 468821 98504 leucine Amino Acid Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos Early 397 2864 132.10191 61-90-5 6106 C00123 HMDB00687 leucylglycine Peptide Dipeptide 40045 LC/MS Pos Early 100003185 2778 189.12337 686-50-0 79070 HMDB28929 levetiracetam Xenobiotics Drug - Neurological 57641 LC/MS Pos Early 100015873 1925 171.11281 102767-28-2 5284583 D00709,C07841 lysine Amino Acid Lysine Metabolism 1301 LC/MS Pos Early 407 2850 147.11281 56-87-1 5962 C00047 HMDB00182 malonylcarnitine Lipid Fatty Acid Synthesis 37059 LC/MS Pos Early 100001526 2086 248.11287 853728-01-5 22833583 HMDB02095 methionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Pos Early 415 2526 150.05833 63-68-3 6137 C00073 HMDB00696 methionine sulfone Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 44878 LC/MS Pos Early 100004635 1250 182.04816 820-10-0 69961 methionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 18374 LC/MS Pos Early 100000039 1272 166.05325 3226-65-1 158980 C02989 HMDB02005 methyl indole-3-acetate Xenobiotics Food Component/Plant 1584 LC/MS Pos Early 1104 3380 190.08626 1912-33-0 74706 HMDB29738 methylsuccinoylcarnitine Amino Acid Leucine, Isoleucine and Valine Metabolism 53031 LC/MS Pos Early 100009275 2589 276.14417 N,N,N-trimethyl-5-aminovalerate Amino Acid Lysine Metabolism 57687 LC/MS Pos Early 100015962 2186 160.13321 N1-Methyl-4-pyridone-3-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 57584 LC/MS Pos Early 100001469 1260 153.06586 769-49-3 440810 C05843 HMDB04194 N1-methylinosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 48351 LC/MS Pos Early 100001409 1430 283.1037 20245-33-4 65095 HMDB02721 N2,N2-dimethylguanosine Nucleotide Purine Metabolism, Guanine containing 35137 LC/MS Pos Early 100001412 2210 312.13025 2140-67-2 92919 HMDB04824 N6,N6,N6-trimethyllysine Amino Acid Lysine Metabolism 1498 LC/MS Pos Early 189 2825 189.15976 23284-33-5 440120 C03793 HMDB01325 N-acetyl-1-methylhistidine* Amino Acid Histidine Metabolism 43255 LC/MS Pos Early 100004299 2100 212.1028 193270 N-acetyl-3-methylhistidine* Amino Acid Histidine Metabolism 43256 LC/MS Pos Early 100002204 2056 212.10297 37841-04-6 193270 N-acetylalliin Xenobiotics Food Component/Plant 45404 LC/MS Pos Early 100005367 1348 220.06381 N-acetylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 33953 LC/MS Pos Early 100001266 2245 217.12952 155-84-0 67427 C02562 HMDB04620 N-acetyl-aspartyl-glutamate (NAAG) Amino Acid Glutamate Metabolism 35665 LC/MS Pos Early 100001612 1035 305.09795 3106-85-2 5255 C12270 HMDB01067 N-acetylcarnosine Amino Acid Histidine Metabolism 43488 LC/MS Pos Early 100004046 2141 269.12444 56353-15-2 9903482 HMDB12881 N-acetylglucosamine/N-acetylgalactosamine Carbohydrate Aminosugar Metabolism 46539 LC/MS Pos Early 100006435 715 222.0972 24139 HMDB00215 N-acetylglucosaminylasparagine Carbohydrate Aminosugar Metabolism 48149 LC/MS Pos Early 1215 1212 336.14015 2776-93-4 123826 C04540 HMDB00489 N-acetylglutamate Amino Acid Glutamate Metabolism 15720 LC/MS Pos Early 100000282 1050 190.071 1430871 70914 C00624 HMDB01138 N-acetylglycine Amino Acid Glycine, Serine and Threonine Metabolism 27710 LC/MS Pos Early 100001006 826 118.04987 543-24-8 10972 HMDB00532 N-acetyl-isoputreanine* Amino Acid Polyamine Metabolism 62309 LC/MS Pos Early 100020487 2305 203.13902 N-acetylneuraminate Carbohydrate Aminosugar Metabolism 32377 LC/MS Pos Early 1162 660 310.11326 131-48-6 439197 C00270 HMDB00230 N-acetylputrescine Amino Acid Polyamine Metabolism 37496 LC/MS Pos Early 192 2230 131.11789 18233-70-0 122356 C02714 HMDB02064 N-alpha-acetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 32984 LC/MS Pos Early 100000285 2000 175.10772 1572591 439232 C00437 HMDB03357 N-carbamoylalanine Amino Acid Alanine and Aspartate Metabolism 52340 LC/MS Pos Early 100006369 950 133.06077 77340-50-2 426409 nicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 594 LC/MS Pos Early 432 1942 123.05529 98-92-0 936 C00153 HMDB01406 nicotinamide riboside Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 33013 LC/MS Pos Early 100001310 2040 255.09755 1341-23-7 439924 C03150 HMDB00855 N-methylhydroxyproline** Amino Acid Urea cycle; Arginine and Proline Metabolism 62068 LC/MS Pos Early 100020215 1145 146.08118 N-methylpipecolate Xenobiotics Bacterial/Fungal 47101 LC/MS Pos Early 100005383 1932 144.10191 41447-17-0 11286529 N-methylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 37431 LC/MS Pos Early 100001956 1335 130.08626 475-11-6 557 O-desmethyltramadol Xenobiotics Drug - Analgesics, Anesthetics 53239 LC/MS Pos Early 100006382 3045 250.18016 73986-53-5 130829 HMDB60997 O-desmethylvenlafaxine Xenobiotics Drug - Psychoactive 43334 LC/MS Pos Early 100004173 3253 264.19581 300827-87-6 125017 D07793 HMDB60532 ornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 1493 LC/MS Pos Early 444 2800 133.09716 3184-13-2 6262 C00077 HMDB03374 phenylacetylcarnitine Peptide Acetylated Peptides 48425 LC/MS Pos Early 100006108 3092 280.15434 287108-21-8 101724840 phenylalanine Amino Acid Phenylalanine Metabolism 64 LC/MS Pos Early 460 2878 166.08626 63-91-2 6140 C00079 HMDB00159 phenylalanylalanine Peptide Dipeptide 41374 LC/MS Pos Early 100003589 2909 237.12337 3918-87-4 5488196 phenylalanylglycine Peptide Dipeptide 41370 LC/MS Pos Early 100003588 2898 223.10772 721-90-4 98207 HMDB28995 phosphate Energy Oxidative Phosphorylation 42109 LC/MS Pos Early 461 576 98.98418 7664-38-2 1061 C00009 HMDB01429 choline phosphate Lipid Phospholipid Metabolism 34396 LC/MS Pos Early 267 700 184.07332 72556-74-2 1014 C00588 HMDB01565 phosphoethanolamine Lipid Phospholipid Metabolism 1600 LC/MS Pos Early 1026 700 142.02638 1071-23-4 1015 C00346 HMDB00224 picolinate Amino Acid Tryptophan Metabolism 1512 LC/MS Pos Early 1022 910 124.03931 98-98-6 1018 C10164 HMDB02243 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) Lipid Fatty Acid Metabolism(Acyl Carnitine) 53224 LC/MS Pos Early 100009407 2773 304.17547 pipecolate Amino Acid Lysine Metabolism 1444 LC/MS Pos Early 1025 2200 130.08626 4043-87-2 849 C00408 HMDB00070 proline Amino Acid Urea cycle; Arginine and Proline Metabolism 1898 LC/MS Pos Early 480 1603 116.07061 147-85-3 145742 C00148 HMDB00162 prolylglycine Peptide Dipeptide 40703 LC/MS Pos Early 100003674 2136 173.09207 2578-57-6 6426709 HMDB11178 pro-hydroxy-pro Amino Acid Urea cycle; Arginine and Proline Metabolism 35127 LC/MS Pos Early 100001167 2128 229.11829 18684-24-7 11673055 HMDB06695 propionylcarnitine (C3) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32452 LC/MS Pos Early 100001162 2590 218.13869 17298-37-2 107738 C03017 HMDB00824 pyroglutamine* Amino Acid Glutamate Metabolism 46225 LC/MS Pos Early 100001540 1900 129.06586 2353-44-8 134508 pyrraline Xenobiotics Food Component/Plant 48428 LC/MS Pos Early 100001767 2750 255.13394 74509-14-1 122228 HMDB33143 quinolinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 1899 LC/MS Pos Early 182 845 168.02914 89-00-9 1066 C03722 HMDB00232 S-1-pyrroline-5-carboxylate Amino Acid Glutamate Metabolism 42370 LC/MS Pos Early 35 1528 114.05496 2906-39-0 1196 C04322 HMDB01301 S-allylcysteine Xenobiotics Food Component/Plant 43239 LC/MS Pos Early 100004509 2690 162.05833 21593-77-1 98280 HMDB34323 sarcosine Amino Acid Glycine, Serine and Threonine Metabolism 1516 LC/MS Pos Early 1023 1280 90.05496 107-97-1 1088 C00213 HMDB00271 serine Amino Acid Glycine, Serine and Threonine Metabolism 1648 LC/MS Pos Early 503 1239 106.04987 56-45-1 5951 C00065 HMDB00187 serotonin Amino Acid Tryptophan Metabolism 2342 LC/MS Pos Early 504 2550 177.10224 153-98-0 5202 C00780 HMDB00259 S-methylcysteine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 43378 LC/MS Pos Early 100002927 900 152.03759 6853-87-8 82142 HMDB29432 S-methylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 38127 LC/MS Pos Early 100002183 2555 164.07398 582174 458 C05319 HMDB38670 spermidine Amino Acid Polyamine Metabolism 485 LC/MS Pos Early 50 3355 146.16518 124-20-9 1102 C00315 HMDB01257 stachydrine Xenobiotics Food Component/Plant 34384 LC/MS Pos Early 100001296 1440 144.10191 4136-37-2 115244 C10172 HMDB04827 suberoylcarnitine (C8-DC) Lipid Fatty Acid Metabolism(Acyl Carnitine) 52990 LC/MS Pos Early 100006627 2964 318.19112 succinylcarnitine (C4-DC) Energy TCA Cycle 37058 LC/MS Pos Early 100001948 2291 262.12852 256928-74-2 71464481 HMDB61717 taurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2125 LC/MS Pos Early 512 660 126.02195 107-35-7 1123 C00245 HMDB00251 theobromine Xenobiotics Xanthine Metabolism 18392 LC/MS Pos Early 100000445 1600 181.07201 83-67-0 5429 C07480 HMDB02825 thioproline Xenobiotics Chemical 53231 LC/MS Pos Early 100009232 1250 134.02703 34592-47-4 93176 threonine Amino Acid Glycine, Serine and Threonine Metabolism 1284 LC/MS Pos Early 564 1514 120.06552 72-19-5 6288 C00188 HMDB00167 tiglylcarnitine (C5:1-DC) Amino Acid Leucine, Isoleucine and Valine Metabolism 35428 LC/MS Pos Early 100001597 2962 244.15434 64191-86-2 22833596 HMDB02366 trans-urocanate Amino Acid Histidine Metabolism 607 LC/MS Pos Early 537 2285 139.05021 104-98-3 736715 C00785 HMDB00301 trazadone Xenobiotics Drug - Psychoactive 57691 LC/MS Pos Early 100015783 3498 372.15857 19794-93-5 5533 C07156,D08626 HMDB14794 trigonelline (N'-methylnicotinate) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 32401 LC/MS Pos Early 100001092 1388 138.05496 535-83-1 5570 C01004 HMDB00875 trimethylamine N-oxide Lipid Phospholipid Metabolism 40406 LC/MS Pos Early 100003397 2100 76.07569 1184-78-7 1145 C01104 HMDB00925 tryptophan Amino Acid Tryptophan Metabolism 54 LC/MS Pos Early 565 2986 205.09716 73-22-3 6305 C00078 HMDB00929 tryptophan betaine Amino Acid Tryptophan Metabolism 37097 LC/MS Pos Early 100001743 2673 247.14411 20671-76-5 442106 C09213 HMDB61115 tyrosine Amino Acid Tyrosine Metabolism 1299 LC/MS Pos Early 815 2430 182.08117 60-18-4 6057 C00082 HMDB00158 urea Amino Acid Urea cycle; Arginine and Proline Metabolism 1670 LC/MS Pos Early 533 700 121.07201 57-13-6 1176 C00086 HMDB00294 valine Amino Acid Leucine, Isoleucine and Valine Metabolism 1649 LC/MS Pos Early 566 2479 118.08626 72-18-4 6287 C00183 HMDB00883 valylglycine Peptide Dipeptide 40475 LC/MS Pos Early 100003641 2444 175.10772 686-43-1 136487 HMDB29127 valylleucine Peptide Dipeptide 39994 LC/MS Pos Early 100003210 3138 231.17032 22906-55-4 352039 HMDB29131