Metabolite_name RefMet_name NINR-00418 NINR-00420 NINR-00421 NINR-00423 NINR-00424 NINR-00428 NINR-00429 NINR-00431 NINR-00432 NINR-00433 NINR-00437 NINR-00417 NINR-00419 NINR-00422 NINR-00425 NINR-00426 NINR-00427 NINR-00430 NINR-00434 NINR-00435 NINR-00436 NINR-00438 NINR-00440 NINR-00442 NINR-00444 NINR-00446 NINR-00447 NINR-00448 NINR-00450 NINR-00452 NINR-00453 NINR-00439 NINR-00441 NINR-00443 NINR-00445 NINR-00449 NINR-00451 NINR-00454 Factors - Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:F Sample source:CSF | MECFS_STATUS:MECFS | SEX:M Sample source:CSF | MECFS_STATUS:MECFS | SEX:M Sample source:CSF | MECFS_STATUS:MECFS | SEX:M Sample source:CSF | MECFS_STATUS:MECFS | SEX:M Sample source:CSF | MECFS_STATUS:MECFS | SEX:M Sample source:CSF | MECFS_STATUS:MECFS | SEX:M Sample source:CSF | MECFS_STATUS:MECFS | SEX:M 1_5-anhydroglucitol (1_5-AG) 1,5-Anhydrosorbitol 118742331 67877552 62324196 85024131 13123730 39421185 49342876 59038416 58837027 87920572 70594396 38596003 139995587 79160163 90327609 70775083 90830352 77383673 93351064 158768705 125928237 75420476 83877322 58075522 56638193 21348462 39263768 71242348 72411639 56777224 45388767 97930737 58030968 39659981 83849095 102461270 23322183 59269611 1-methylxanthine 1-Methylxanthine 336472 95665 313769 159972 237541 42342 44708 84189 232820 56173 121383 60077 113704 134892 113266 154468 100586 119948 1-stearoyl-GPC (18:0) LPC 18:0/0:0 177455 45446 53612 89465 87373 54140 47797 57685 119488 66191 34738 102403 98284 88533 181679 89502 71815 60084 74070 78783 77651 64638 50118 71183 50330 48396 53568 51766 108950 48523 75811 61976 35831 36254 2_3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 2,3-Dihydroxy-5-methylthio-4-pentenoic acid 2151665 2170468 2248866 1357495 2047317 2119902 1797782 1581328 2349825 1584249 2212332 2391434 2139027 1724502 2672752 2376730 1828215 2414326 2983848 1389045 2243047 1858721 1564270 1211909 1970164 2007405 1017146 1550929 1570358 1621054 1027275 1098758 1421849 2554798 2347393 1657508 1640166 798264 2-aminooctanoate 2-Aminocaprylic acid 30117 88797 35880 33732 54285 50450 55476 59188 80162 66964 36391 75141 23804 38733 56771 67245 36266 72392 68703 64217 41818 31060 38217 33117 38777 40940 53531 31968 85491 2-aminophenol sulfate 2-Aminophenyl sulfate 62499 138975 40032 210704 262323 110094 14416 355456 260571 68447 266538 65838 96409 44934 168669 213674 72701 70377 75815 35565 69021 18713 107206 71290 260900 41766 2^-deoxyuridine Deoxyuridine 145348 82791 83843 68937 74525 47607 82371 35921 40350 28658 41532 66880 91135 66502 83861 72565 37080 78535 53757 75610 134055 84059 45238 104396 31344 68659 35174 69912 56792 25481 36632 61659 59188 64729 43757 42809 53681 2-hydroxy-3-methylvalerate 2-Hydroxy-3-methyl-pentanoic acid 609223 379817 399166 450440 411783 400216 429530 510151 463468 755003 250432 472308 702054 651590 724778 593393 499552 348953 405380 592842 689387 434774 340405 338867 317360 350399 295145 231690 323669 165097 343333 301901 345751 428857 505637 379281 386814 314340 2-methylcitrate 2-Methylcitric acid 1190499 1393888 2155562 1513891 1210419 1533397 1675977 1449090 1809986 1367263 1718848 2722491 2573012 1852891 2889740 1710808 1336093 1902331 1557243 986663 2352331 1446929 2169121 1621341 1066297 1063605 1622116 2328950 1604766 1027697 1822568 285306 2244931 2360135 1353682 2219339 1496215 2-O-methylascorbic acid 2-O-Methylascorbic acid 12549887 14829440 20003266 9589266 12744714 14599456 13795420 16843133 14445345 12467951 16126140 23168921 18354799 16990372 29152645 16765228 13529106 22978132 25574052 18856816 22944235 12705581 14798620 13633818 17477481 14239905 11843712 16156938 15434380 16269829 8253116 19270197 12007022 20088274 21558991 16656766 13873677 10251326 2-oxoadipate Oxoadipic acid 256999 191607 412946 292516 412930 331669 389326 345740 251832 271940 163664 182245 381589 128858 240450 262248 244370 313519 236897 188023 335913 257040 310761 291576 155856 256232 220124 263772 153438 350592 225278 313376 239112 190767 197051 315185 211945 3-(3-amino-3-carboxypropyl)uridine* 3-(3-amino-3-carboxypropyl)uridine 206268 191157 205546 149440 228938 178224 183118 191348 214972 91562 224756 267338 225201 172563 274422 263921 213271 231486 291619 153623 272296 230319 125816 152154 179533 219112 102015 184826 162583 183466 92564 137220 141462 310181 234983 165358 146400 86393 3-(4-hydroxyphenyl)lactate Hydroxyphenyllactic acid 3664233 2616288 2501430 1782593 2191498 1780704 2700158 2159908 2804047 1571663 3257962 1982802 2156189 1384118 2735697 3513399 1935628 3431007 2067141 1046893 2208911 2171829 1571303 1109871 1987004 2299960 1324081 1440000 1308648 2147788 881806 1223752 1905314 3691218 2008598 1720074 1406982 857274 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 103994 42977 71658 183988 93381 96256 59766 19477 51880 104987 78385 71578 64732 83122 73723 30740 156073 55087 50944 53417 57585 42354 60362 64385 144878 132035 41508 66065 56029 34013 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid 186656 425421 513410 174180 169120 89588 122701 23268 139250 80632 198676 33233 640906 394741 67911 71372 27749 50266 335012 52506 167921 79980 238365 3-hydroxy-2-ethylpropionate 2-Ethyl-hydracrylic acid 2930198 966285 1101503 772602 945138 817744 902542 1351865 1851300 674305 997997 2158208 1097667 1239553 1518122 2459987 714842 2569912 1183510 1315855 2400510 1165842 526797 1119426 680973 578327 1849202 1240238 838030 647120 669632 1025187 1239923 2044636 974584 633886 1840961 494808 3-hydroxydecanoate 3-Hydroxydecanoic acid 170402 212949 282231 185776 251906 186717 229548 240466 215923 238674 244597 222886 220285 172214 255213 212822 182921 252051 198642 220205 140622 163101 214561 323390 258240 183990 283557 259413 206802 170956 259969 260015 316956 296921 204508 191752 257837 205306 3-hydroxyhexanoate 3S-Hydroxyhexanoic acid 883434 724255 773928 594591 582525 883096 733006 833302 891948 369772 686084 1143005 651089 631820 670678 817024 646438 1026060 704185 783436 947878 661983 556005 559130 611309 694125 481637 936257 469492 580984 492978 543470 628397 925289 905802 497673 533073 382352 3-hydroxyindolin-2-one 3-Hydroxyindolin-2-one 172863 120267 163094 116548 131512 256105 69159 153335 361372 110689 73780 325346 240486 122827 163963 281002 230114 327127 154742 286765 85147 354129 228629 126481 212339 144805 164669 203849 62910 150245 103225 212102 214653 238307 337984 176561 3-hydroxyoctanoate 3-Hydroxyoctanoic acid 200560 178102 252314 138305 154917 169324 199377 325709 156962 132824 226154 326621 197012 133101 169979 185346 136382 575382 172608 176605 188733 170679 150851 181155 169687 117867 111609 187846 122512 125397 148424 131803 153219 244921 302345 135011 3-hydroxypyridine sulfate 3-Hydroxypyridine sulfate 1126493 88831 97095 535499 1444476 309300 62056 37533 97752 207544 138901 237514 243406 135043 147004 762293 275010 419712 140597 3-indoxyl sulfate Indoxyl sulfate 222435 47167 20889 130849 63801 63134 23160 27534 313095 96212 52007 64947 136369 122699 134013 21903 133634 57869 75519 32421 71649 82169 36190 43423 102237 65410 104007 66402 90336 82384 39447 3-methoxytyramine sulfate 3-Methoxytyramine sulfate 55810 61809 96605 31823 63209 70257 79278 63972 43578 30784 62329 67874 71600 48770 63580 51936 52632 68748 68141 64118 32117 59499 54273 63445 47866 62494 56536 52798 37384 48956 35485 36268 50811 97482 50641 59537 31687 38985 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 7390277 3164104 4324077 3795782 3691207 2850526 2698225 5798813 3262674 3030211 3685517 3811144 4097346 3864005 5018985 4204769 5799891 4146208 4252184 4187962 4554033 4736290 3375692 3937583 3069600 4152307 2413850 2499517 2479835 2208849 2522965 3191790 3215268 5165314 3483979 2423181 3163490 2194036 3-methylhistidine 3-Methylhistidine 1462264 649348 991606 1338028 2044920 100899 572600 1019580 1302678 1265372 2989272 157822 1129019 871451 317311 1088421 972025 2383944 1099105 108199 744334 791928 225476 50689 101712 462347 421078 888290 732146 32369 535676 474126 184109 382528 3-methylxanthine 3-Methylxanthine 619864 1042542 895040 407627 2811451 292132 1886930 722922 242271 206752 287071 1074194 76859 756026 113232 696414 1840261 376490 2240819 705785 112827 1031984 214208 111534 1690193 686430 977615 355985 147440 1372548 55587 3-phenylpropionate (hydrocinnamate) Hydrocinnamic acid 98790 108374 128878 168740 111773 60465 80159 97375 77504 133201 81011 117594 93836 70391 128134 57504 81038 4-acetamidophenol Acetaminophen 744475 1608393 7734591 49456428 42923161 83894 2994197 12708933 57804 83130 5665900 44563301 234749 25143167 6228327 220093 338877 15391440 24806378 267276 4-acetamidophenylglucuronide p-Acetamidophenylglucuronide 343711 2717958 5544387 1831237 1176544 1777572 992634 1853205 585722 2426465 2135995 295772 844237 65630 372091 278159 4-acetaminophen sulfate Paracetamol sulfate 129110 1448927 2427822 2074852 556986 1287674 508973 1450947 55793 754363 1564462 40020 104401 523566 627534 4-hydroxyphenylpyruvate 4-Hydroxyphenylpyruvic acid 93739 67290 59517 53450 40657 78611 90066 91393 74599 108483 63860 117324 61436 56621 70646 61782 76521 91728 49309 80381 64613 71923 59265 84096 37096 67861 88481 133120 110142 66375 67174 4-methyl-2-oxopentanoate Ketoleucine 10212251 3695473 6438639 4460402 4304701 7405725 6504269 7538983 3801331 4505183 5419256 4650307 5316085 4842784 5829980 5031889 5234532 4973708 5306355 5919905 6499960 5942937 4665314 4887212 3661703 5916552 3311755 2838466 3214043 2971368 2778108 4476345 7330561 6760899 5081066 3701988 4674617 6097548 4-methylbenzenesulfonate Toluene-4-sulfonic acid 12829532 136135 98900 183298 57471 1230556 34077 59166 514675 412367 228851 3407873 82218 176623 36092 3453474 16255 1567333 11673734 73414 201902 6960407 118069 821309 634243 334727 113077 36914 52793 43582 824631 85662 368324 58906 108016 4-methylcatechol sulfate 30387 103536 29813 25385 34142 159568 113653 54741 35982 39094 48803 35975 33889 28434 69377 29616 85631 72420 21985 44013 5_6-dihydrouracil Dihydrouracil 239349 234292 229709 211474 200126 283026 167695 176840 185262 206763 188712 179924 156697 305823 281206 246802 292955 139250 221648 154387 192754 108852 176457 154266 110139 314583 132936 123347 129808 154446 142027 250221 5_6-dihydrouridine 5,6-Dihydrouridine 1865601 1766341 1599772 1855363 1903458 1666820 2696768 2104540 1790304 1103347 2382545 2352453 2367665 1718630 2402811 1960670 1661500 2857072 2180214 2063649 3165662 2077275 1393766 1830184 1833365 1700170 1105674 2237640 1338937 2445604 980965 1425807 1427670 1785468 2147344 1585093 1335855 1193679 5-hydroxyindoleacetate 5-Hydroxyindoleacetic acid 243979 122502 129592 85805 122999 131223 130060 129548 119202 116164 103357 131627 97320 94662 163040 96499 94175 128426 144916 52169 52821 55797 73957 104040 75966 95125 65102 62904 87152 86361 81386 64496 81442 190383 53159 79008 59061 56331 5-methyltetrahydrofolate (5MeTHF) 5-Methyl-THF 77364 21538 27953 35324 40957 25993 36551 33834 32048 24845 22874 28958 18161 21572 34960 27534 33249 51702 68500 21315 32201 72351 33198 45173 19491 40961 18356 17820 33627 26558 20221 5-methyluridine (ribothymidine) Ribothymidine 1138160 686087 728795 630886 628274 568891 711292 607482 617973 389515 822008 918056 928128 681489 899613 778713 652382 698823 757833 948612 1240441 943170 522963 817590 475227 738457 401788 845248 466392 716342 417094 586372 586034 701698 883238 411321 543283 439970 5-oxoproline Pyroglutamic acid 76276592 54838572 50597797 35512546 41509783 56701720 50367569 43893466 49920243 39257223 61050288 72674012 68193003 50613856 52741271 51251876 61985916 59182660 58737606 81196352 75346343 59586773 38504970 57406655 42188990 45546071 46600132 41917047 43835867 57783566 36640700 47308914 40031351 55524374 76512299 37607389 45136591 39775767 6-oxopiperidine-2-carboxylate 6-oxopiperidine-2-carboxylic acid 532402 232223 282021 302980 285478 451432 238282 281456 348653 355838 355917 256575 587578 263601 347641 287981 265680 362410 391845 240607 374506 336147 278644 272403 328853 216676 384166 314797 224471 236603 340842 284264 385085 440963 251243 205228 328937 269113 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 7alpha-Hydroxy-3-oxo-4-cholestenoic acid 704814 359115 581728 461271 394155 575880 735689 519983 281675 232404 419446 655467 660688 491563 696069 492869 624841 461205 672085 716594 578723 452597 392701 530330 406873 437687 291058 450402 248426 485114 288283 940216 653425 513587 445914 654098 376151 600736 acisoga Acisoga 247580 79187 158513 110056 53234 138547 163156 85471 36006 93193 57612 68669 106303 104865 66979 88451 84509 95046 113988 223964 101700 44077 65142 76602 61899 112992 105302 91670 55599 58555 57559 89069 130766 38798 102946 50691 56951 39159 aconitate [cis or trans] cis-Aconitic acid 26478353 17837213 22383211 15849381 14873963 23014023 18296772 19456404 14915252 21246876 22139040 25361702 24964145 18409728 20133435 20348596 19219211 19570366 21230800 21295482 24992237 16242073 16344391 19150606 16218411 15596831 14262680 14072976 18109719 21467458 12515161 18823009 19184323 18810779 23362842 14681031 18219930 11574975 adenosine 3^_5^-cyclic monophosphate (cAMP) 3',5' cyclic AMP 105273 75025 54239 54441 53356 72009 68314 58737 41158 46832 79250 127281 64144 62567 81029 60429 116978 86290 49157 71056 50957 99764 39025 71460 44720 40044 44109 36635 51703 27921 37790 62617 54139 84630 32632 50969 alpha-hydroxyisocaproate 2-Hydroxyisocaproic acid 828644 307052 388253 449267 408889 290660 296722 501232 418644 251047 325094 313495 344707 416948 446093 428841 464996 1042129 454116 647455 604787 363783 372556 242672 254121 400857 283813 190429 253786 157046 342629 202981 292876 389663 492584 353558 400003 219825 androstenediol (3beta_17beta) disulfate (1) 4-Androsten-3beta,17beta-diol disulfate 138858 25027 42986 16994 35744 123109 30284 181070 180706 172855 67689 103037 89725 52685 282333 33959 32084 52057 30049 126631 182562 36188 44084 104415 64825 78607 benzoate Benzoic acid 494230 452538 372612 344438 416396 273400 262840 350655 340248 564914 401639 466165 491461 329836 1686169 257394 330550 279618 545245 366546 357651 338296 307757 337900 331878 314468 460827 551945 327695 606256 443241 401633 350323 462175 351749 482163 354124 617951 beta-citrylglutamate Beta-Citryl-glutamic acid 156673 118523 168069 73661 56856 178801 126483 109245 103968 58910 158120 202871 164985 102975 249083 159569 151881 160257 219834 130683 230435 121166 36787 130492 134635 87488 70490 73532 161583 142596 27361 160605 84444 151268 215686 64544 88015 45967 beta-hydroxyisovalerate 3-Hydroxyisovaleric acid 8407061 5239693 6477037 9057681 6665915 5721014 4197952 5835060 5522734 3702202 5617349 6849609 7484207 7781811 9269734 7341072 5599575 6748947 5808869 7138069 7290635 6434853 5159550 3993360 4199967 5558173 3423681 4212830 7384053 3740296 3918833 8547895 7119314 6983890 7784327 2983088 6214518 4510934 butyrate/isobutyrate (4:0) Butyric acid 2100968 938054 964137 1513831 688041 989720 989579 1496035 1388107 1234816 1426326 1400023 1010921 1234979 1176740 658927 1849902 1109687 1391460 1282219 737943 824982 1365006 842741 1067027 743581 803851 343822 745536 823722 1279164 702218 1296707 3163882 632217 779427 1306624 catechol sulfate Catechol sulfate 1137379 585302 413065 89514 1485844 1492841 1113699 227492 189760 245028 536602 298539 610567 307647 648979 338449 248560 298568 1058527 364554 387932 331464 90297 239331 334632 193281 42147 73881 19431 859149 55583 83160 700939 334714 963505 248718 208079 chenodeoxycholate Chenodeoxycholic acid 48342 162882 128258 30259 115063 20764 207108 51402 60710 110153 298108 65705 42721 21553 198355 76225 43117 80154 44999 37356 cholate Cholic acid 48017 49722 115697 99498 71169 49803 36269 65808 171212 64678 42022 74195 34153 96626 cis-3_4-methyleneheptanoate 181142 138772 157496 93564 111611 120678 140277 142785 344552 85108 55185 73231 197230 167296 74466 130395 120503 84294 198131 150550 352185 51425 citrate Citric acid 453891323 494827982 548471705 350328422 313706445 444102022 481361899 509437547 283538705 348300478 514410209 594964013 701707760 445529707 390561022 568232352 564171901 424428546 562309538 528242497 527992378 384103136 407940922 446649728 369387552 289181816 370824074 394047767 375763177 542900486 316921878 571557317 486337884 373952399 568425614 382617374 496945577 363133502 cortisol Cortisol 147861 40839 75191 23645 33062 65848 71903 35649 35127 42309 112176 73909 43130 57456 71518 67638 102911 85952 65057 82846 58725 72471 33639 87501 29136 75417 42339 62548 60967 53539 50064 67301 74601 90713 67479 39778 39668 30849 cortisone Cortisone 80155 34242 30600 24537 29694 18160 25884 31705 46318 36284 45713 42694 18783 48149 42757 29539 47052 54766 64888 59116 61521 39478 35725 42266 17147 31279 32169 20055 21558 45269 15903 creatine Creatine 14616412 12201983 13913420 11949997 10226997 13811393 12177946 12037347 9692917 10209007 15073371 15874641 16706091 12652355 12434530 11547028 10600317 10652967 14155560 16245179 13247822 12348256 11332296 14408914 10510986 12376750 10832018 11261826 10363571 10419321 6882844 12477402 10235781 12784592 15539719 9953809 10281328 9488698 cysteine s-sulfate Cysteine-S-sulfate 95163 122705 101619 47574 130020 139511 107234 113923 123827 101208 94140 44183 129843 119466 114698 104512 137905 47774 103143 93837 113078 133017 cytidine Cytidine 855696 552150 605631 648200 700852 821097 641985 574126 501809 452235 598835 617670 595156 551157 670330 486318 570366 711398 755372 789741 825257 627986 523189 700897 565562 613200 501432 582742 486901 466065 356481 487177 487000 633193 697936 455183 429438 319369 deoxycholate Deoxycholic acid 59873 62369 80674 32212 35099 342908 25712 120651 16309 176152 131991 657265 100821 164080 209665 471334 79515 128897 60361 67269 37084 63614 59688 47620 56631 63079 31769 59320 193246 85273 104447 149334 107358 43677 56509 dopamine 3-O-sulfate Dopamine 3-O-sulfate 48269 58794 240612 48424 178060 27890 24793 126682 91112 64950 143930 113858 66814 29326 29952 29011 291036 109286 120762 36949 72123 28176 217217 91715 86872 33252 148929 48903 81302 ethyl beta-glucopyranoside 266626 125794 537614 296827 1760514 222845 1125170 678463 34217 42532 592865 338530 873337 743171 97769 120627 131909 238243 77972 819570 199626 181420 96663 118269 185665 460483 60722 582002 29347 329191 125006 42819 149760 181254 337934 52000 gamma-glutamylleucine gamma-Glutamylleucine 101774 40466 62283 37289 26067 64897 28364 78642 36590 32031 87895 69997 85096 56404 44994 99217 65163 43427 56725 113472 95266 58289 43833 40859 53299 45370 36353 31528 33075 27268 72395 86897 67120 71534 39623 45742 27644 gamma-glutamylphenylalanine gamma-Glutamylphenylalanine 70626 32882 46165 26293 20617 50163 50031 39505 30798 71273 56665 58581 25283 31196 50224 40967 54734 41487 67915 62764 43158 28351 38500 39460 33384 45263 33766 43222 48826 39669 55528 26872 24524 18003 glycerol Glycerol 1734108 4483789 2700383 2891417 5294521 3935865 2657821 2801677 3125010 2289705 2185810 4205263 3861541 1747129 5463640 2571560 38584416 2206469 3102874 3799562 2568969 3523531 2130477 1952619 2587885 4498243 2810401 4906131 1804819 1933972 2575825 2849575 1499412 5976236 3361965 2007927 2025118 2353573 guaiacol sulfate Guaiacol sulfate 141432 97815 104884 237146 239008 190919 46511 36447 68156 32792 58552 52196 67501 31061 46697 179045 37247 35421 35852 20497 25681 104723 33999 129752 44197 23616 hippurate Hippuric acid 294286 777883 323965 62765 1307117 453693 248319 59669 144286 313429 508993 169538 405133 110586 341667 214237 142687 125246 964808 279543 299737 70043 70673 94729 157450 121199 63251 606181 328333 78655 756852 111250 141514 homovanillate (HVA) Homovanillic acid 591782 176375 355289 223859 335376 292365 345584 334916 267062 299444 253122 258690 247992 177039 362932 258631 199144 352416 288161 138017 196041 212454 237959 220476 246663 342917 216353 147372 200396 170621 176480 160274 229727 496380 143527 275976 169502 77471 indolelactate Indolelactic acid 74292 38611 49664 47520 50979 28429 22918 30597 48648 47644 31241 42526 30905 36813 36410 34039 22719 21096 30469 42594 30377 36507 28759 isovalerate (i5:0) Isovaleric acid 1534331 3438184 1118486 622599 377893 244962 856117 317773 1107726 526872 568554 1024495 326460 1322073 797968 537603 1387217 962517 1337346 1270861 415059 330790 491278 896485 809675 415300 359969 564672 290078 659195 512098 920476 519407 924346 N1-Methyl-2-pyridone-5-carboxamide N1-Methyl-2-pyridone-5-carboxamide 5730164 1915504 6103708 3717174 3535843 5311497 4133840 8974682 1730785 2156845 3173380 3358415 3734519 5202951 2476846 3744427 4071980 2527027 5422299 3942645 4715001 1893099 4597687 2225397 3111243 2817756 2152526 2889917 1841758 1340246 1077896 2791602 4914546 10349381 3074286 4276695 2406632 4762839 N2-methylguanosine 2-Methylguanosine 138455 71220 92887 59728 67613 108652 63831 59510 69742 47448 105433 95806 95628 86343 106576 77918 106389 102626 107467 96978 119642 104207 69264 74545 59520 92131 47057 51928 40598 74517 18442 57018 45893 84096 117454 54456 52808 32482 N4-acetylcytidine N4-Acetylcytidine 62763 27398 63723 117567 31047 77026 78876 107958 44365 81092 56670 125880 46365 57800 49259 38028 99110 53848 67409 37479 109025 57836 75229 116700 81225 32458 117268 68711 39383 45200 57844 57891 107516 36607 27463 57944 N6-acetyllysine N6-Acetyllysine 75772 51861 28215 76249 40202 32006 35467 42603 60231 62828 69722 79294 46461 67554 66580 35986 50776 98127 62250 57009 77119 41767 34785 52517 45496 28237 49069 68120 61660 26847 67025 20972 37174 N6-succinyladenosine Succinyladenosine 2355418 2661996 3113480 1916248 2029714 2610839 2102916 2108401 2951038 1547884 2781537 4131058 3613713 1928467 3865863 3008653 2162760 3438945 4417989 2069969 3454886 2312964 1848825 2127844 2202963 2642055 1808336 1550982 2054798 2566537 1031770 2714967 1506168 3178202 3868211 1731682 1328646 1008860 N-acetylalanine N-Acetylalanine 6729575 4649686 5944194 4522333 5171130 4878830 4485583 3957606 5525940 3937491 5429913 6245086 5418455 4851821 7208758 4988443 4104517 5592907 5309443 3614147 5395870 5877146 3986761 3778028 4980654 6377392 2889276 3552452 4459048 4252465 2901818 3161691 3608587 6271381 5755402 3681031 3720458 1990382 N-acetyl-beta-alanine N-Acetyl-beta-alanine 1964969 1797687 1936395 1667394 1591074 1304390 1193515 1115751 1734960 1440998 1480661 1179949 1380758 1410328 2516497 1502925 1213668 2483666 1908022 1812252 1537315 1606173 889240 1084734 1281764 1903296 930522 1131059 1856248 1295554 1215390 1410008 1026368 1202099 1516396 962984 1373334 786783 N-acetylhistidine N-Acetylhistidine 1974393 4153896 2592763 964696 3365320 2110594 2602716 1340491 2552856 1803084 3452956 3518150 3020582 1880292 3533416 3000643 2784275 711100 2516137 2604567 4572706 1580034 2305045 2135732 3048836 2866139 1467502 1658411 1546153 2253895 1176269 1399741 1890420 4022526 3045322 2311628 2092797 1782982 N-acetylisoleucine N-Acetylisoleucine 207132 142589 169664 139213 146287 150366 185872 123581 200017 140853 212503 181116 184844 169261 204948 121733 134900 160304 173365 111367 171877 178566 144334 105615 150224 205041 86954 137368 103207 118300 83514 84116 117103 211572 159504 113439 132878 N-acetylleucine N-Acetylleucine 61264 70823 54784 59398 80901 57211 24169 83183 75353 57150 55184 142919 74675 106480 61287 62525 41657 36685 115634 85686 64111 N-acetylmethionine N-Acetylmethionine 1044739 510942 647655 307625 809146 411081 545568 370705 516492 345547 707132 549853 438499 339565 705330 651601 419717 692165 471793 115641 323644 613741 328085 255113 436838 691201 146293 219506 277719 365916 196083 151414 363609 744559 379438 324624 279081 104484 N-acetylphenylalanine N-Acetylphenylalanine 77433 52608 55888 40390 52346 57878 54539 37993 64194 22178 59584 46093 56723 22891 52888 59683 47214 53548 44051 43390 47554 23839 34957 37999 60933 30173 58887 36798 71970 44725 34864 N-acetyltaurine N-Acetyltaurine 1975843 2305349 2046380 1780263 1588127 1289161 1661868 1308273 1692221 1375238 2293689 1413450 1926592 1195557 2470077 1801744 1344641 1873053 1923330 1317012 1638383 2142945 1551871 1122322 1328589 1421003 659149 1451833 1623179 1434324 811015 1012531 898864 1908272 1519664 1255925 677079 1031661 N-acetylvaline N-Acetylvaline 825573 589054 718476 544790 731508 487772 584703 537076 700014 394395 682833 747518 718866 612265 913099 636393 549246 738799 668663 410406 703356 730506 454539 470321 558017 781820 314919 478247 495284 560475 291778 403813 414611 820602 659806 400756 353623 289603 N-delta-acetylornithine N(5)-Acetyl-ornithine 195034 202354 127752 476249 702716 543113 786340 146729 106694 128334 358246 1112932 433311 445620 142996 191171 244915 238167 131229 916559 210325 143260 153767 56162 74476 46849 267704 82955 66813 399884 97112 250678 230446 50109 127765 79543 78790 57397 N-formylmethionine N-Formylmethionine 1281848 757755 917701 415784 1015087 559958 759013 358440 763754 516292 994891 696877 603313 521214 791218 835198 556421 866239 639823 214614 599271 769348 428346 373347 580078 722434 219876 341285 338848 477375 274777 207748 470960 745855 730443 440472 369880 156790 O-sulfo-L-tyrosine Sulfotyrosine 447478 388437 432786 268879 274772 357803 366981 444289 335488 179643 428322 528428 580919 310091 337135 412431 311401 440668 382201 470236 513381 306625 239689 359173 270611 361182 265418 336218 221724 312304 219646 414753 354650 411881 476878 247924 231529 232530 oxalate (ethanedioate) Oxalic acid 84216603 65275023 81038837 71730963 76023573 69266842 85144127 75232207 36089052 59659844 84373788 41366172 55297176 72026702 100290933 78056796 68277674 59558836 79411700 100178479 79432605 53361711 64899951 66787732 81001177 89731283 62917358 58349921 34132409 59855999 47724593 86716869 68203928 83358801 75851504 58921176 45919885 50995027 paraxanthine Paraxanthine 1276001 415446 1754744 762805 3562103 460123 166563 374129 267784 759323 487796 460221 257043 96118 98520 500177 93320 139484 511601 92689 268860 452369 224015 66264 231703 1421229 730979 1105678 561714 847419 p-cresol sulfate p-Cresol sulfate 1769155 625198 1527110 924568 1314718 3860232 676812 224922 1378871 217336 523951 5001025 1993804 899351 2180806 1703384 690814 1735743 676806 2316518 1570241 653109 1449560 1368715 3048394 342276 62741 625156 83201 567217 155065 1040785 1098793 2059190 1247757 1225479 1757084 862964 phenol sulfate Phenyl hydrogen sulfate 1363382 715552 837421 636752 1035335 1280361 2040965 2667555 1789982 545628 885250 520034 968311 1414543 502880 717221 843185 1318445 771874 1464170 869584 3397031 480636 805416 1130649 1123752 1764988 834266 804921 1189922 271734 1179677 1276240 497932 1047548 1268332 1999325 99111 phenylacetate Phenyl acetate 28456 23123 31412 42095 55002 65895 85686 34140 18743 87761 74877 24859 50030 43289 37489 71473 31820 100493 24875 32460 21769 44440 28220 29550 60520 46040 17302 phenylacetylglutamine alpha-N-Phenylacetylglutamine 567645 198239 447420 182211 572097 1137816 190299 224544 634022 155638 496596 807161 1025011 210312 334428 571392 353267 361093 291390 880047 436075 349178 349477 224709 646158 111797 42265 169903 82853 226151 41497 121060 332971 539559 740513 286339 649394 148081 phenyllactate (PLA) Phenyllactic acid 232001 165976 191330 148340 219664 165694 158661 108928 190850 132584 189326 233679 168913 159015 187424 198474 157839 145613 176266 139990 198298 125304 159669 101777 91639 168466 121368 129021 107003 116313 97780 131353 188866 160089 118870 106841 S-methylcysteine Methylcysteine 141809 151109 82993 126434 107810 141601 313430 104320 27790 51232 75774 51365 232302 101977 69778 203705 171921 54120 263766 120291 105753 50902 85150 134446 39494 187809 102242 251584 42455 65999 60080 42398 191840 24730 sulfate* Sulfate 79096316 64890470 76299985 64978809 80507830 93111048 75039703 68545021 74361750 57309826 83409174 91448059 91014387 79407311 71184658 67297154 66989132 65640625 76619278 98283248 78541794 60206304 55249037 75020399 76311723 73698227 63825921 54451421 59216753 62443107 50655487 67445015 66093876 81874272 77725487 59650918 43355661 37215140 tartarate Tartaric acid 201055 364137 461171 277325 454591 495194 573836 373179 384933 386099 308942 465820 375210 394968 280097 355543 349777 369974 235226 385135 331885 552513 387703 427877 418590 481658 368827 426523 492931 584190 198538 273483 219706 278772 508563 422004 191262 265791 tartronate (hydroxymalonate) Hydroxypropanedioic acid 5246792 3289573 4459908 3542526 3637664 3683397 3779925 3032639 1954051 4753549 3862481 4143185 3163057 3095906 5312950 3333819 3657940 2941937 4028368 4806802 6441005 3023124 3088052 3932210 3935926 3970160 3235325 3555542 2635057 3978796 3069337 3865581 3405074 3803188 3869643 3462364 2697901 3262141 tetradecadienoate (14:2)* Tetradecadienoic acid 47433 62777 56477 148560 72014 83186 111240 86769 126726 105846 139853 114145 153754 149993 119957 98637 95208 65346 103373 109465 53718 69917 77685 134883 70346 80878 theophylline Theophylline 3904788 1914286 6164561 2153558 8730242 1053366 377613 1181167 623281 2977999 1308666 1124743 615820 161655 209016 957327 132330 342003 1238607 970500 243248 724352 1903674 1101013 616218 612247 3430205 3558575 3268293 1416622 2627819 thymol sulfate Thymol sulfate 34643 559677 47166 39940 62453 410939 75124 23785 20635 77715 topiramate Topiramate 4536967 tryptophan Tryptophan 8321236 4324618 4484508 3237280 3217384 3883666 3604419 3552441 4132522 3067299 5899539 3945027 4973047 3768376 4187883 3418723 4271039 3000482 3728231 4852546 6287731 5237207 3276102 6485889 3263668 3627571 2797594 2757017 2611475 3503686 4165704 3379712 3426864 3356512 4831449 2843961 2569855 2016956 uracil Uracil 180676 218811 169784 131028 182729 189356 246193 232250 136299 184195 206702 243507 115953 281691 212429 161797 160010 193886 169312 187744 159189 140131 149609 156526 129538 254826 173661 244225 138199 199104 100310 172748 229218 254034 132829 115621 120458 93158 urate Uric acid 27535150 18419961 36433736 15159112 19768637 27752386 33290525 35231788 10210039 11322221 26752072 31956697 33825747 32382337 19183418 26899277 26657235 22840998 19703831 37265222 32988660 17888460 26535089 21625565 19123949 11867563 13438000 25505792 7423003 22826706 13035440 20486952 36669311 17582587 34187605 18734407 15348254 17015661 X-11299 179936 16434 71242 126565 62852 77036 88880 28539 69000 18686 21037 26768 122530 108988 X-11381 151945 134740 99703 83970 44922 58261 148169 106927 111319 149400 243213 169662 121491 117726 126248 125380 119638 94543 142021 100196 108767 135001 87148 141787 111108 109156 80705 225587 192402 139301 190051 132091 110905 72715 X-11478 162580 59988 95513 90046 69073 35716 287154 67907 58760 75787 32757 71231 79693 125308 67653 X-11612 29954 37938 47847 21064 57882 43253 64359 35390 22996 35959 54961 39189 23237 53948 42352 42802 45783 66786 25582 38992 26309 26575 31835 22543 41860 35139 41081 27131 18629 25652 78413 29432 25554 43127 15945 X-12007 29280 24217 74017 102739 36198 54512 28979 228917 107788 159916 41362 106060 47495 81294 74657 74118 65348 41731 59226 47734 19268 42721 35033 34080 94406 56425 X-12015 44972 44386 90566 23236 297070 77922 137349 75405 37042 31992 83238 48078 43792 55844 118882 49403 258187 57178 40152 59351 81848 51798 23026 97638 516299 28265 113298 37216 X-12026 38996 42534 55599 43847 38864 31139 56882 37977 27912 21379 34656 49723 18018 21855 26688 28260 21017 38405 33568 35455 X-12104 160391 91774 123426 78998 73736 117195 125253 121010 85650 56208 129421 124097 119417 68174 93220 113275 93918 139607 134293 131408 134697 87722 58986 84452 99831 102393 56050 77005 62986 148846 44268 79077 126668 128705 103150 61704 74137 61739 X-12411 360588 322670 230285 100096 226629 452680 210922 209150 213081 146954 348282 232393 251713 140926 288538 482145 212583 265333 454042 58648 541768 314174 146453 180026 195037 177575 72839 106457 160572 149927 121431 39113 162937 350411 167279 84544 154892 51780 X-12844 20093 44807 41118 41278 26922 19552 21334 24109 18071 43827 17258 20655 21547 39550 37484 19214 29454 36384 15730 X-12906 284358 194024 297606 256762 225605 306624 268150 128602 386720 292683 277745 503846 554569 263197 648550 331671 180433 264238 209196 370892 394989 236354 177308 212017 342594 312184 178811 203947 266448 295624 165388 325396 143432 201421 400332 324014 262557 137135 X-13728 91742 129049 77863 45253 510361 460778 77674 27669 34778 152907 227533 15183 126097 183643 26424 199880 37726 48528 63048 117889 232358 21619 128702 X-15245 449851 103807 227177 229011 103622 217709 204681 201754 228948 118776 203933 155907 150666 132862 302869 196448 233263 208360 142847 144146 253828 251580 94763 202385 210269 188075 239782 173552 105280 85629 X-15674 22898100 12427742 18171622 11423463 18499656 16707224 25687655 32648241 8813083 8302815 31544396 14733030 13825259 21670386 16862012 30060299 18645098 17605698 26417193 30970877 15955997 14571473 14817424 13633396 18077675 30863518 14178049 10741149 4854819 11387795 5618623 23303630 23395969 27291131 23266110 11222676 9116753 8227846 X-18887 116751 159984 132997 95632 146284 113327 150206 143377 138203 51785 144715 156898 117864 105361 190623 140158 107937 193099 232727 99863 143305 97320 90370 50785 119400 120496 36520 96770 96480 136759 75612 97967 207512 188012 69233 69915 62180 X-19438 170106 43900 101440 54169 57263 55027 126485 61848 52061 79176 22204 64985 44757 62626 99106 48368 93709 57868 79830 51368 87221 53178 64781 56725 63179 44960 37121 75791 41818 94783 14500 58005 X-21286 789097 236830 358430 210061 181994 627098 131707 208756 939163 359808 263662 1601078 653612 259074 598039 722387 703815 773489 544674 1370297 399463 1050625 392271 290130 439313 263126 225017 344306 90024 58604 102572 431795 154702 499381 682536 380466 632469 147571 X-21733 126736 37977 24696 94620 73316 176727 44261 302651 68323 67364 106533 94347 67099 60155 159359 176965 77147 38175 48275 49275 37741 53886 71819 21568 46370 22502 X-22143 24760 40935 73270 25817 233646 95660 85309 52607 36198 22574 56044 70496 44477 104819 36094 217428 41857 39771 56525 70921 44268 17601 81286 366322 46789 124448 32715 X-23195 1109593 1192753 1426114 1461615 1279029 1487419 1307253 1106095 1323012 1308315 1309474 1446449 1460254 1417926 1566147 1255184 1225264 1286067 1308578 1465755 1027810 1275194 1563515 1392940 1524259 1548459 1522292 1313525 1465663 1242191 1392257 1511392 1307528 1319299 1498586 1405870 1584285 1387807 X-24295 280756 27183 191928 95986 92200 83088 114601 212329 153594 119646 169641 99255 149050 114818 153529 157646 106836 147247 143666 159191 123818 100331 143847 119107 118806 169622 89356 89559 82864 74895 104464 148973 170706 128918 76583 153153 X-24337 126111 70531 82930 44680 85583 100322 67090 89874 88783 63207 125765 62195 116469 72142 107312 93756 85529 99708 117922 56939 148599 118240 56538 75982 61054 56639 55079 73912 47339 65549 52831 51151 78548 103486 89477 48361 82213 74344 xanthine Xanthine 9838010 9666259 11332043 8658178 10815040 12009553 10322380 11318402 11521415 12107704 10932818 11479300 9239981 7892023 10278239 10424649 8655373 11899493 10647982 7051939 9302316 8502428 10544945 7329201 11169508 11514515 9902652 8680155 9026832 9998365 7961129 7441747 10462204 13344400 8763641 10431884 9960842 7394009 xanthosine Xanthosine 42350 33818 39119 49341 66570 48030 26801 57304 24451 47669 29203 34061 27527 50854 37448 53044 48034 30975 39597 29833 55866 51254 44072 24825 21658 23287 60468 67865 32150 22678