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 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 473808 395792 506677 749815 322163 569198 839762 622564 658281 732949 217154 614579 466570 607043 400547 343924 337241 350239 630255 181715 226243 359844 443844 424385 618939 316560 378296 665829 658336 835457 772286 409063 774372 543515 407094 341782 300608 515551 460874 292773 2,3-dihydroxyisovalerate 762226 804644 1025623 347708 280956 333911 188143 324807 23574 1151298 1196331 1721415 397534 968117 950054 345845 2214139 445995 1151930 81365 225540 4403186 1322269 1872592 138091 231985 701121 242575 601730 485787 2498063 263346 1653080 187046 1629653 375278 832217 336839 5653553 898060 1099813 161151 53043 2-hydroxybutyrate/2-hydroxyisobutyrate 51703160 42727148 55820036 43097348 70795568 32499902 62053424 45394592 109645008 55039456 29300386 81350672 64451008 33896348 69204208 54952716 48198624 50508184 63830628 74632904 73347192 40575244 35900728 51506368 54191712 34140728 51482472 46413132 36157320 46682672 51951656 95565232 39571476 54176652 90488040 56602352 50120456 34054380 60337808 35097636 69754296 99555408 57181204 52502552 58851428 34898036 2-keto-3-deoxy-gluconate 4190228 1895219 2749321 2036592 2737260 3335595 3061626 2404923 2418341 2578190 2462805 2576513 3115418 2545970 2394813 2637088 2083643 3128149 6329490 3099205 4371897 3713897 4071711 3201168 3275338 2351837 2522268 2860627 4115353 3659237 2449781 3638819 2956729 2712903 3094193 3012878 3254795 3822674 3725456 3077903 2657504 6079372 3410814 4623816 2596794 3742016 3-hydroxy-3-methylglutarate 2465834 1475562 1315803 1385166 1642927 1463930 1500253 1911128 1735764 1740823 1591355 1595600 1669102 1485260 1500572 1417915 1335432 1292652 1624596 1617355 1840962 1074750 2304572 2505909 1847423 1163586 1460080 2608255 1366364 1384898 2691786 1709712 1341195 1523784 1436906 966454 1181154 1916836 2051144 1414494 1082038 2156658 1791208 1653396 1474860 3276252 3-hydroxyadipate* 271175 168840 511193 209858 159002 244340 204244 243649 3-hydroxybutyrate (BHBA) 74595208 37741376 23264954 29070338 19223828 19726048 28166914 28128994 106981248 70942608 14014992 11463953 18582184 44033772 38909104 52550348 24160962 5177336 13630737 43796188 11080310 59574568 10316505 46925208 80443696 7374115 33250138 18829274 36520968 11039417 52333728 70304688 66786436 20147248 31344080 13702698 54503284 5362231 33560580 6458664 20823608 24963928 22527494 24585206 70028576 14241771 3-hydroxyisobutyrate 8936514 6076399 7701959 8478452 10484494 5643448 8128699 10043855 18140460 4399420 4806748 7159563 8534815 5061403 7031055 4506873 5649583 6096858 12543663 13071620 7795007 8099009 8496905 10101209 7777134 5198087 11261596 7736362 4337092 6996353 7372681 15031151 6529949 10376868 9180847 8948389 12593737 5472884 8903649 5871609 7862855 14067993 9458313 7614389 6383942 6840497 3-methylglutaconate 654830 617869 501662 912033 570561 522949 405247 316101 289876 253761 456069 294229 319200 474454 764076 264560 424552 235401 557997 507832 295055 275701 563081 656325 524138 411405 741621 407581 522069 369115 336796 327679 237023 548254 386205 283849 520653 665906 408368 488150 308814 594280 381847 210449 234836 538448 4-hydroxy-2-oxoglutaric acid 341550 2642693 1936957 1429740 320109 393724 451648 437328 227276 385591 228239 425839 425406 254281 168405 332521 206527 257488 178193 301771 245735 131309 188729 238818 202123 249091 333079 470438 339895 577031 773429 458908 551181 480879 658898 513362 365205 1014470 491782 609889 448991 835326 810298 595799 879435 5-acetylamino-6-amino-3-methyluracil 694574 1277472 1149227 3605764 1738498 151311 1058577 50688 1694959 3865784 2149130 3963717 1114649 6469767 1094728 4006940 576707 1224060 438556 774951 2208177 902226 2236026 721139 3651256 157407 248155 1767852 2339918 8364068 6831310 3118601 2347186 6688730 1844775 2916774 3074198 1790683 3117641 198273 3228372 5-acetylamino-6-formylamino-3-methyluracil 339666 767278 427933 2845391 957276 666250 934225 3239053 867217 4115248 617651 5084531 631231 4139686 362088 1278026 544625 1028152 1586001 817246 1022979 312821 1577308 324220 1068962 1068358 8188817 3842633 2646205 865264 4886720 1076710 2386639 2631155 432953 3252710 284220 4008021 acesulfame 10554411 4694361 3082660 1161318 233691 13527948 3397690 254328 492184 1310162 1466062 3560796 4381750 97004 18586432 810609 allantoin 4300031 4170959 4003898 3892799 4070544 3271412 3274010 2751445 3588058 3169676 4800037 3698099 4395667 3026563 3262747 3321690 3858668 2246099 4252044 3037368 4250486 3045645 2311770 3552609 2526230 3080330 2473100 4009990 2949328 3363282 3455578 3549375 2687485 3556731 3618787 4158630 3673683 3947872 3986479 4011001 2852896 5065810 3546114 3500072 3253712 3509356 allo-threonine 139486 253165 99978 142793 283055 307608 286044 102991 183810 296027 131319 288281 251623 112658 282663 289882 113636 163449 279846 117603 118052 188697 168208 95327 267990 180147 183559 165858 233468 124245 424886 263667 123570 alpha-hydroxyisovalerate 37640920 53548280 34774040 26256660 44165864 17904344 31658648 28926688 46452864 36240200 47858800 72655848 41874324 17671710 41266920 22169576 32026188 29101048 44566704 34537644 25497636 20957400 20331360 42283432 33573232 28751002 32379870 36059024 22091444 32112568 29325556 58745956 23568492 45850296 61064648 35911056 20506218 47781436 27429052 45973920 34981952 39512492 37082080 17219830 25257416 19225688 alpha-ketobutyrate 2859045 2048602 3263174 2178026 1303200 2698448 2526911 6264546 2289417 1486792 4108904 3699647 1862665 2000237 2688578 2161573 3077916 4146802 4062471 4113686 1454314 1999889 3026553 2959929 1570490 2427243 2361037 1834334 1882232 2817293 4448894 1826966 2633057 4506637 2496192 2275012 1234608 3463344 1382558 3958228 5567716 3824537 3023710 2640652 2214089 alpha-ketoglutaramate* 3721545 2289767 2247335 2598469 2967663 1962492 2463166 2173201 1666318 2575630 3873740 3105972 2944831 3016753 2770884 3281039 2026893 2809549 4115372 2347564 4601050 3603477 2003888 3881867 2415993 2385777 2487100 2386867 2582854 2072666 3351723 2708966 3400792 4059057 3783709 2257955 3457523 4359169 3724954 2466754 2713860 5094855 2506285 4829613 2955205 2578591 alpha-ketoglutarate 37530616 39452328 39012032 30710456 41048632 30728104 45999552 49140248 31005532 36613284 36965708 35757824 38864444 39568640 27588516 42958280 36722948 21704572 42168168 29953560 46904380 37951220 39956924 32300142 44077400 38901692 40141132 56640552 33304188 49053768 55945036 47546704 38608420 40489244 64769504 33587848 47015452 35944504 54605472 36104240 32893504 38131088 32703160 47456520 35492604 52599392 arabinose 1083839 284840 887387 633925 521251 556749 586906 323582 598152 719046 677853 600952 691847 356454 512575 990686 452658 222138 510231 37810 423080 784409 297505 767892 394020 1259955 626425 824351 arabitol/xylitol 2721283 2127252 2114178 1508997 1849819 1974265 1587567 1889964 1368385 1721703 2468635 1822454 2383880 1970163 1771977 1836413 1576504 1684275 3000842 1779048 2523609 2005726 2139469 2623941 2420908 1964483 1134616 3025697 1611402 1336151 2346692 2122047 2058467 2070854 1891188 1733395 1716145 3106917 2210491 1657428 1300370 2921169 1880013 2419117 1519727 2952190 arabonate/xylonate 7881314 5855543 4552531 2897672 4436187 6806082 5650110 4605410 2399089 5123485 11236562 4717636 6565830 4755828 4353593 4640806 4486514 3485479 8884987 3879152 8241494 5147987 4270828 5865632 5022941 4582253 2297734 13368786 5003342 4059140 5823378 3689694 6301552 7447899 3740396 4265954 3276362 8430848 4113319 5044899 3989662 6510436 3010911 6478553 4743611 7899432 azelate (C9-DC) 315995 158362 207425 172850 192180 302563 244450 207662 285765 161653 214541 238677 224080 416195 336296 235889 171492 216680 167022 216079 168870 216794 252135 139052 144409 173023 373781 285968 479585 chiro-inositol 1934136 727951 280587 916173 2289258 1380354 1738410 923432 1569305 384956 3909456 4660992 187672 1267058 327603 613750 6403686 755483 982707 dihydrocaffeate sulfate (2) 386247 253697 310602 163690 962773 462913 289223 460002 305067 177174 107114 505696 523186 179863 165088 214216 250046 225737 253321 183015 198360 124174 141143 476583 187548 455736 dihydroorotate 378263 1118621 339495 344485 356797 529884 510192 578002 205849 267402 381633 255915 96287 92888 693927 736674 425292 156164 693462 456577 794764 448913 689988 691749 525053 313038 499191 292532 562646 505096 526604 552399 328567 452658 399718 364049 376653 1009226 811071 667865 532300 871175 550847 626567 210987 745769 erythritol 1867087 1211783 1038264 971399 1673454 1241682 1030435 1277023 1043714 1217661 1564399 1230268 1315694 1058480 971532 1851973 943045 887801 3357698 1015359 1354115 963164 892120 1729716 1286214 926353 732536 1746156 1152279 929826 1275051 1203218 1196648 1230315 1779958 1322042 1051254 1409546 33414990 919579 1105124 2932420 1195846 1522132 1097946 1689497 erythronate* 56970480 36303552 33917072 36005276 47913608 41332096 43770516 42269832 35622920 40687616 48010148 46443232 44417564 41674352 37740032 53876220 35389076 30555942 78644776 37508788 44719412 35967536 37485440 53411912 36095040 30989862 34618976 53112304 39965724 41014820 42691824 40386628 37960012 48430000 48128440 44301596 43352488 50453104 68778472 35130960 35881960 72083616 43339200 46480692 37819184 57677156 ethylmalonate 23441954 5133480 9927363 6086122 6691434 6312670 5862729 4468529 4527802 20755714 6910537 6122934 4771352 9522581 15457151 4828917 4718681 5519018 10752012 3765708 4038667 4168655 5170004 19002334 5478008 8124330 5462429 8065364 6504440 4612899 4733192 5548758 19025896 6792143 7786895 3835036 9992725 11752712 5890624 5724311 6427098 9181705 4455373 5745788 5454655 6314872 fructose 6715945 6341014 4084898 5989468 10980174 10178587 10752716 4961909 8904035 10820605 8631436 4992896 9289875 3806636 5388450 3677137 8223765 3279326 6771358 5999949 4378843 8993873 3438497 5194093 5101871 8345941 5519024 7994833 7893854 5644704 6936944 23329928 5441615 5808087 6571564 4209300 6783836 6248237 4865713 12228627 3773977 3679206 8834436 8976102 4445243 11323513 fumarate 2091313 2016960 2223240 1404511 1676640 1500493 2758620 2341986 1583510 1814960 1907674 1944556 1645992 1728679 1741554 2724798 1862951 1223804 1855955 1350867 2546305 1831070 2291913 1676296 1796057 1994718 1623710 1904638 1739537 2423943 2291473 2147920 1892270 2141141 1897809 1996356 1943003 1759129 3395806 1752450 1743264 1531388 1759955 3150497 1986173 3234976 galactonate 3316210 169018 1092866 1655277 1164202 500564 984437 1489231 2002184 299362 1462086 1132283 3159881 1222293 764154 1413396 1147198 1547299 1842317 2473528 1411024 2783607 1768228 1697040 260982 1145531 gentisate 463918 541308 388771 259525 487326 308665 1001969 889435 233398 358576 132240 2252905 998311 296686 308273 512416 210211 221893 260754 390110 451820 286387 322267 183854 236729 316369 145709 355978 106536 78451 1607887 297524 261741 366251 238243 534013 326856 gluconate 11724405 5318271 7787290 4666310 8093335 8247062 8223898 3479339 6400990 9083055 9929837 6913915 5203281 5852239 5358743 5723796 4150201 4737446 12297439 4747495 7566710 5447114 3786157 7506951 7685029 6844436 5957380 9683668 7756325 4902167 5287279 7550599 6069137 8095889 4577481 4883683 4957585 7214833 8108913 5855262 7137391 8955654 5537044 9201297 6199826 5655053 glucose 1363336960 1400934912 1431053056 1309924352 1458857088 1341011200 1525014656 1433860480 1443894912 1411099648 1302396288 1390603904 1381503104 1385198080 1396633984 1390016000 1370187008 1267527552 1697857664 1396668032 1498506624 1269824128 1306072960 1294517376 1240099200 1349887616 1175711360 1550667520 1220731008 1400060032 1463294080 1345107456 1284507136 1637125632 1570242432 1318118528 1471652736 1563178624 1515669632 1366324608 1469456512 1703589760 1533732096 1569219328 1307323264 1625152768 glucuronate 819693 1420461 368763 527497 1118602 1172557 1098689 991558 282886 994036 2002106 1486068 620727 897737 543319 1507005 364826 1754975 3375030 561355 1751877 1322708 480151 1741574 958723 406099 1034903 2740855 894705 2809084 1545807 754983 1149540 881037 1369700 389514 2606553 885460 1273888 611034 4735250 3287191 478179 2597786 1465909 1086123 glutarate (C5-DC) 273929 267003 483686 267973 578542 246562 207232 1524198 264810 696509 508093 172847 215016 598703 1166211 181361 403056 192596 507368 257093 213700 282665 394578 624774 332915 568490 337677 421328 292877 291474 355256 405410 433973 1199040 292665 212065 427514 229145 355939 1015689 227046 glycerate 21268752 20078580 22475598 26001104 17600400 20884738 23808782 20229724 20781092 27536342 23617092 22538130 22218574 25194512 15853691 19169024 23126576 16057131 21228856 18758920 17307252 20179340 10320049 18629584 18429952 15956275 18992676 18134308 19774762 17233476 21611532 23031462 20861444 17221628 23768548 27321764 22965462 16025908 26938628 21929480 21575652 23300632 21830304 20496348 27008224 19999524 guanidinoacetate 685812 757261 676068 612655 439066 735357 729403 723451 622441 755024 1034443 1220026 991830 1120687 802633 1200111 1062473 882697 593263 744450 732704 1258328 835165 655879 787106 792035 547370 442775 691587 552137 751074 639892 837576 831965 1108809 1146492 1093756 1047143 1652170 1226699 907371 649646 781368 847353 1221627 892940 gulonate* 4347247 1584192 1168651 1741843 2914879 2120827 1966385 2028656 3456606 1237656 1640366 2119976 1806638 1773170 4103406 2062376 2053247 2097794 5459765 2266963 1472844 1870032 2635344 1967592 2046618 1836507 1817472 1965587 1210539 3576406 3234641 1919076 1943853 4251423 1892697 2879275 1410546 3638699 heptenedioate (C7:1-DC)* 818735 536462 590141 467835 921394 647230 691947 381722 750125 346349 469682 501697 1049373 829991 997287 400071 282061 609153 407411 754186 705155 578422 451710 830401 620985 453437 604757 694534 548555 1013141 591766 221579 868205 788209 1323562 420657 647671 423479 588333 280998 1354714 hydantoin-5-propionate 429496 80549 138928 164306 206162 182700 140630 52800 228696 72895 108950 226601 173069 211659 545140 96667 111600 841646 203201 286873 181051 176299 691091 172769 42966 83626 246144 206067 153933 94853 208494 74286 215204 183668 91470 140383 648927 178398 200183 1018786 166934 187812 99685 isocitric lactone 499843 159514 171108 136195 202612 153548 154024 212003 139069 214546 225952 89537 254213 224631 174501 201563 122162 135954 355430 213939 358366 145282 309407 192213 102170 190994 282496 166186 146552 242603 224440 218384 211259 181641 139845 291183 190355 294000 113934 181597 1749866 225511 324353 132749 87094 lactate 244843344 263813264 293558592 174590176 266638912 272650144 425511808 464660352 331220768 324636160 240371488 392868832 410349248 300658016 543585920 323701312 303817280 348408576 459434624 330788736 372322048 336850432 435145280 187408912 224944944 287860992 207618272 338470336 208599024 394390944 283763040 353976672 263930016 251819296 420728768 438812960 285661600 343227232 384424416 254788864 317367008 389821280 414729888 431776352 365647232 341109152 maleate 621153 692225 812763 679558 607446 679516 728055 1022116 706751 592137 587538 524656 608080 718694 521549 836648 568692 449334 1090830 663987 504386 670031 778107 757021 548691 661939 421311 1036144 717593 637461 755033 727295 610959 677335 728001 674583 712667 488392 739811 608346 577862 962939 825001 653115 702023 820251 mannitol/sorbitol 10459331 1028478 1580271 1608377 6942105 1524402 1110432 1601657 1222325 1547145 1496981 2443182 1945061 2065082 2421154 1817414 1238765 2829204 9046860 1294704 2289606 1487506 3044697 11179405 2086956 1723920 3729488 4553657 7450364 1062669 1385564 1364080 1776862 1957924 2529579 1331776 2742383 3760724 2247721 1200381 1292220 4665285 1832859 7556868 1941865 2936391 mannose 25247680 26694830 23383146 20422278 31898884 22964144 21012142 26751568 32892610 24287740 24103748 21361060 26261024 20506250 28024190 29186372 20009454 24557254 35507840 27892400 43868108 30228756 20950614 24078404 30533104 25908944 19636316 40603056 22384964 19763468 32071480 32465066 27229960 27644772 23934612 19608604 24517544 36471544 29910788 17475920 33651488 40144580 29510606 30941524 25315124 31975690 methylmalonate (MMA) 514301 2392910 363514 2035892 2449876 2364324 1337807 2618022 1922212 2752291 1061400 2858793 1963847 1300359 2214642 1330665 2130717 1967738 329948 2403471 231736 1988686 2586872 2508061 1499124 2079946 2258827 2407475 437742 2710104 1665446 506018 2860627 2726639 693987 2506242 methylsuccinate 612496 323746 678060 482143 336225 332299 347177 346215 344718 639146 672328 321943 332893 468171 445479 438787 326970 385881 804167 393071 358708 334135 323099 372847 318599 614363 357451 538488 438452 304196 430877 284362 606644 325567 366509 289081 358712 490417 545527 236042 429060 508951 335968 313946 303345 463301 myo-inositol 11878927 8741501 7156256 8029798 7767025 10258100 6485482 7080004 8582692 10246806 10245093 8435209 13005201 7747133 7709891 8184593 7395859 7857360 10058077 8030781 11106962 12324032 4297830 12933720 13402837 4454899 7620098 11988280 9131790 6994271 11282860 9682011 13713687 7443011 9152284 7437329 8242837 8091847 10872474 6117949 7678654 14131225 8994355 7031313 10324231 7893356 N-acetylalanine 12905385 8408406 9250164 7645640 11339059 8911551 9146153 8326199 8440514 7834551 10413826 9748270 10641445 9329255 9479502 10105098 7513658 6735430 13174489 8662215 12081232 7320839 7738238 12081777 8948240 8495883 6696244 10670312 8203785 7731398 8625059 9433317 8159136 10608234 11820314 10114511 9277846 11203586 11880748 7232256 8208445 15319023 9745730 10393775 7899731 10406468 N-acetylglutamine 160987 92761 174250 142198 113774 209317 80769 279382 237607 154979 116053 148749 87754 137357 91147 66494 45277 64299 143553 114652 174988 98033 83205 61794 146069 204187 95950 77823 58011 292831 313126 271902 73725 142941 119171 121898 141116 139023 86988 137645 79118 127585 N-acetylserine 10091190 8307398 7105460 7627400 7676191 6247902 6010398 5753477 5460898 5687021 7080015 7148303 7717140 6444428 6480164 7542926 5044430 4498485 11218909 5843402 7528341 5748502 5371586 13077183 6791925 5869695 5139473 8867911 5776170 6076285 6945142 6133277 6097304 9732985 7865366 6052180 7583886 6559627 9299633 5401373 6169342 13510029 6146930 7780546 6357186 7972404 N-acetylthreonine 9349880 7667669 5261886 5265171 7850157 5444932 5361998 4904541 5143002 5082744 6477300 6775517 8048819 5691968 5720537 7314519 4943654 4318571 10659206 5398320 8961334 6427264 5752060 12941685 6731384 4972018 4787170 8954076 5348163 5694609 6012336 6740182 5597241 6770729 6645035 6449605 6274199 7251484 7971957 5454190 4987168 13859609 5748758 7704817 6224359 7410896 N-formylanthranilic acid 255055 173112 409143 431983 208413 459818 519992 146163 274574 205261 405408 183983 427070 203322 307460 864032 307229 209179 536618 677010 359137 253018 383774 339879 266455 376364 270510 298056 399140 772070 267159 255966 289037 408111 292294 397019 148223 328294 1212882 445503 258207 315075 617113 364231 184942 332351 orotate 1212679 825428 809781 1155156 1108166 799216 986631 1246570 1118022 628949 554173 564754 1049235 1343141 941478 722371 739046 764027 732709 1009360 1102500 709971 621230 1129258 1024429 597217 688352 1115428 851495 1075131 1263677 1068631 800864 526039 537256 897323 1120464 743227 835648 751902 765289 975394 1161056 1168647 868259 1067441 orotidine 573697 259348 301273 361536 208949 163357 271366 307590 179261 237741 673555 401426 269184 456277 200552 191028 217748 257422 247126 334542 207414 141402 745120 252361 205818 212610 perfluorooctanesulfonate (PFOS) 1507982 2268018 1220760 635379 663806 2165593 2025582 610038 1673049 864131 2071213 764378 2739921 1990444 1544446 378302 1099089 154653 1571176 1781732 1010729 1448671 1294662 1639929 1783140 1072627 453777 562754 1982424 1612310 820708 1548379 810856 1850660 763284 2374591 1623818 1955710 409769 1002726 275709 1629287 2107600 1055319 1745299 1458476 phosphoenolpyruvate (PEP) 1769793 325610 169533 92695 1327648 986977 191595 340608 152134 188258 751688 63858 102891 98621 158800 51343 71855 504057 237060 242201 619653 pyruvate 22966088 20959866 28146846 17462120 24081004 18980692 27492214 36042204 28549912 20163868 22222012 29963470 35305936 28380008 24902868 28294402 22366120 32695340 44970592 31737928 29612644 23083658 36043124 20531892 18972614 21588308 19183296 29012480 21316896 25244308 25017864 29460108 19722066 25345090 33934520 33354042 28007632 23658590 32766816 22806198 27326626 35444520 41163404 31701876 24428218 34476644 quinate 4746673 2398639 13600873 10446182 1680636 676861 141526 6084336 97994 25660764 2156046 23596096 29343152 10576938 21139460 7629749 10543765 4358547 1711416 6375640 761159 282848 80782 5884355 4305254 27492632 6744224 35128800 149064 2761038 15362828 306071 41168472 611902 58784660 24941322 18933116 29995022 25557064 17122660 11204862 6106573 24623752 1449280 96635 320000 ribitol 221199 170614 172063 96851 262539 174708 136175 266557 230825 133773 252459 392059 274207 184405 145955 236556 176832 249526 327838 212744 194552 170040 319030 189297 218777 192550 98498 387120 183767 118904 287295 283841 251278 185515 323701 191798 170869 248421 264008 233013 190006 319391 223327 248952 188275 357039 ribonate 3489199 2386594 2374053 2190995 3437998 2944430 2156764 2582927 1795909 2544711 3639889 2198342 2619444 1790206 2291590 2236312 1980978 2555443 4604681 1645114 3370793 2386819 3147706 2909888 2483078 1878788 1661850 3703972 2439504 1889960 2648233 2330843 2946885 3189423 2075729 2256339 1662183 2911552 2453479 2534264 2208692 3310998 1824769 2775941 1816891 4303674 ribulonate/xylulonate* 4832606 6890646 5481492 5447689 5645901 4947289 5102219 4855108 4914582 5560912 5060342 5296788 5437329 5411551 5017565 6183661 5588111 6071708 6646518 5368625 8793029 6622880 4292802 6725527 6228443 4653027 4579603 7300384 4646446 4880572 5655294 5241209 7979376 7453986 7465326 6609254 7551550 6751884 7867010 8403846 5647365 7809101 6041378 6138532 6078312 7231045 salicylate 5571930 1847058 1728927 3349771 3203019 5779971 269842 4581071 2042151 3965900 1196013 967321 1089051 2030713 4064599 2073975 6167474 546218 4543055 83906568 897999 4815654 20607116 1124581 3920687 808312 16756416 1466721 2628385 1517948 1532466 913383 6286560 716591 30814144 771469 10326411 1644789 1923939 560584 7469538 234244240 3335365 9853447 succinate 5594908 18044156 3473136 1962947 1907159 2471942 15493933 1774529 5091430 2813145 1561892 9051226 2147962 1990904 1050788 1127192 5858048 3326425 14289827 1197302 1076735 5311743 15635273 15051774 2863305 3286514 3911210 18015664 6460273 1232900 2161315 4478168 4375440 5539470 2930626 1112005 6319435 4764304 1612459 2118394 9075821 918010 3947154 1420831 19608212 18356180 succinimide 319043 349670 327982 397297 675630 363646 301501 212631 266789 330594 319950 542730 502729 554438 378321 715554 385537 461937 343141 494767 583766 1055402 556523 347533 430099 312764 380780 639853 400983 285094 391227 315993 240814 385843 572333 600491 564656 514695 644062 286837 542905 386314 519234 301190 1042357 540748 sucrose 203274 77241 425171 192647 1721512 128524 209551 threonate 80269320 68899096 52063552 93522120 61513160 72601608 83106424 79334568 65716984 100536440 89510280 80019328 80949328 76608496 51839424 64746448 75047384 35670024 42737032 53953288 48844260 70876576 9700527 69643480 71387880 40253936 72183064 69818872 53170728 63686308 81931752 88771632 103665696 50560804 89349552 80603920 75221312 43170984 97159240 84012768 63004580 54953316 61902920 67916392 99522624 58632944 xanthine 3755798 3997622 3404927 4403464 4189635 2753408 3983734 5140340 4070889 3521443 3420920 4670844 5136480 4006705 3612542 4388816 3872188 3358137 4252286 4330534 5083057 2967565 5616508 3468732 5030744 3222682 2764487 4744891 3526412 4183794 5173116 4997530 4812566 3001610 5904707 5630758 3880037 5056991 5333798 1942119 2819656 4471188 4814894 3238947 3851181 5141685 xylose 405833 364772 682200 315236 334095 462793 287185 264782 289136 309538 354794 271825 497851 398673 261128 498793 276076 529841 241055 295602 231270 223523 386159 193252 212088 196998 439239 367395 335621 257207 685178 168552 310848 396605 metabolite_name SUPER PATHWAY SUB PATHWAY COMP ID PLATFORM CHEMICAL ID RI MASS CAS PUBCHEM KEGG HMDB 1-stearoyl-2-oleoyl-GPG (18:0/18:1) Lipid Phosphatidylglycerol (PG) 52623 LC/MS Polar 100001866 717 775.54946 322647-48-3 2,3-dihydroxyisovalerate Xenobiotics Food Component/Plant 38276 LC/MS Polar 100002417 1050 133.05063 1756-18-9 677 C04039 HMDB12141 2-hydroxybutyrate/2-hydroxyisobutyrate Amino Acid Glutathione Metabolism 52281 LC/MS Polar 100008928 1258 103.04006 2-keto-3-deoxy-gluconate Xenobiotics Food Component/Plant 48141 LC/MS Polar 100005946 1900 177.04046 17510-99-5 161227 C00204 HMDB01353 3-hydroxy-3-methylglutarate Lipid Mevalonate Metabolism 531 LC/MS Polar 112 2850 161.04555 503-49-1 1662 C03761 HMDB00355 3-hydroxyadipate* Lipid Fatty Acid, Dicarboxylate 62069 LC/MS Polar 100004396 3131 161.04554 151913 HMDB00345 3-hydroxybutyrate (BHBA) Lipid Ketone Bodies 542 LC/MS Polar 254 1444 103.04007 625-72-9 441 C01089 HMDB00357 3-hydroxyisobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 1549 LC/MS Polar 111 1619 103.04007 2068-83-9 87 C06001 HMDB00336 3-methylglutaconate Amino Acid Leucine, Isoleucine and Valine Metabolism 57747 LC/MS Polar 100002458 2700 99.04518 5746-90-7 1551553 HMDB00522 4-hydroxy-2-oxoglutaric acid Lipid Fatty Acid, Dicarboxylate 40062 LC/MS Polar 100002537 3073 161.00916 1187-99-1 599 C01127 HMDB02070 5-acetylamino-6-amino-3-methyluracil Xenobiotics Xanthine Metabolism 34424 LC/MS Polar 100001403 1710 197.06801 1196153-01-1 88299 C16366 HMDB04400 5-acetylamino-6-formylamino-3-methyluracil Xenobiotics Xanthine Metabolism 34401 LC/MS Polar 100001402 1424 225.06292 85438-96-6 108214 C16365 HMDB11105 acesulfame Xenobiotics Food Component/Plant 48569 LC/MS Polar 100006203 756 161.98665 55589-62-3 36573 HMDB33585 allantoin Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1107 LC/MS Polar 1002 1672 157.03671 97-59-6 204 C02350 HMDB00462 allo-threonine Amino Acid Glycine, Serine and Threonine Metabolism 15142 LC/MS Polar 100000272 2511.1 118.05096 28954-12-3 99289 C05519 HMDB04041 alpha-hydroxyisovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 46537 LC/MS Polar 100001300 1052 117.05571 600-37-3 99823 HMDB00407 alpha-ketobutyrate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 4968 LC/MS Polar 796 940 101.02442 600-18-0 58 C00109 HMDB00005 alpha-ketoglutaramate* Amino Acid Glutamate Metabolism 62101 LC/MS Polar 100002397 1916 144.03023 18465-19-5 alpha-ketoglutarate Energy TCA Cycle 528 LC/MS Polar 93 2700 145.01425 305-72-6;328-50-7;22202-68-2 51 C00026 HMDB00208 arabinose Carbohydrate Pentose Metabolism 575 LC/MS Polar 828 1804.5 195.05103 28697-53-2 66308 C00216 HMDB00646 arabitol/xylitol Carbohydrate Pentose Metabolism 48885 LC/MS Polar 100006430 1932.4 151.0612 6912 C01904 arabonate/xylonate Carbohydrate Pentose Metabolism 48255 LC/MS Polar 100006115 2700 165.04046 azelate (C9-DC) Lipid Fatty Acid, Dicarboxylate 18362 LC/MS Polar 2029 2520 187.09758 123-99-9 2266 C08261 HMDB00784 chiro-inositol Lipid Inositol Metabolism 37112 LC/MS Polar 100001859 3191.2 225.06159 643-12-9 C19891 HMDB34220 dihydrocaffeate sulfate (2) Xenobiotics Food Component/Plant 62524 LC/MS Polar 100020822 1328 261.00744 dihydroorotate Nucleotide Pyrimidine Metabolism, Orotate containing 601 LC/MS Polar 923 1910 157.02548 155-54-4 648 C00337 HMDB03349 erythritol Xenobiotics Food Component/Plant 20699 LC/MS Polar 100000846 1491 167.05611 149-32-6 222285 C00503 HMDB02994 erythronate* Carbohydrate Aminosugar Metabolism 42420 LC/MS Polar 100001320 2186 135.02989 88759-55-1 2781043 HMDB00613 ethylmalonate Amino Acid Leucine, Isoleucine and Valine Metabolism 15765 LC/MS Polar 2054 2785 131.03498 601-75-2 11756 HMDB00622 fructose Carbohydrate Fructose, Mannose and Galactose Metabolism 48195 LC/MS Polar 878 2065 225.06159 57-48-7 5984 C00095 HMDB00660 fumarate Energy TCA Cycle 1643 LC/MS Polar 330 3084 115.00368 100-17-8 444972 C00122 HMDB00134 galactonate Carbohydrate Fructose, Mannose and Galactose Metabolism 27719 LC/MS Polar 100001026 3085 195.05102 299-28-5 128869 C00880 HMDB00565 gentisate Amino Acid Tyrosine Metabolism 18280 LC/MS Polar 100000447 905 153.01933 490-79-9 3469 C00628 HMDB00152 gluconate Xenobiotics Food Component/Plant 587 LC/MS Polar 338 2922 195.05102 527-07-1 10690 C00257 HMDB00625 glucose Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 48152 LC/MS Polar 572 2342 225.06159 50-99-7 79025 C00031 HMDB00122 glucuronate Carbohydrate Aminosugar Metabolism 15443 LC/MS Polar 100000257 3233.3 193.03537 207300-70-7 444791 C00191 HMDB00127 glutarate (C5-DC) Lipid Fatty Acid, Dicarboxylate 396 LC/MS Polar 339 2900 131.03498 110-94-1 743 C00489 HMDB00661 glycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1572 LC/MS Polar 1052 2070.4 105.01933 600-19-1 752 C00258 HMDB00139 guanidinoacetate Amino Acid Creatine Metabolism 43802 LC/MS Polar 344 2884 116.04655 352-97-6 763 C00581 HMDB00128 gulonate* Cofactors and Vitamins Ascorbate and Aldarate Metabolism 46957 LC/MS Polar 100001586 2750 195.05102 20246-53-1 9794176 C00257 HMDB03290 heptenedioate (C7:1-DC)* Lipid Fatty Acid, Dicarboxylate 61866 LC/MS Polar 100019981 2816 157.05063 hydantoin-5-propionate Amino Acid Histidine Metabolism 40473 LC/MS Polar 100002514 2080 171.04113 5624-26-0 782 C05565 HMDB01212 isocitric lactone Energy TCA Cycle 54724 LC/MS Polar 100009239 2970 173.00916 4702-32-3 98259 lactate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 527 LC/MS Polar 482 1468.8 89.02442 79-33-4 612 C00186 HMDB00190 maleate Lipid Fatty Acid, Dicarboxylate 20676 LC/MS Polar 100000707 2640 115.00368 110-16-7 444266 C01384 HMDB00176 mannitol/sorbitol Carbohydrate Fructose, Mannose and Galactose Metabolism 46142 LC/MS Polar 100001740 2320 181.07176 5780 C00794 HMDB00247 mannose Carbohydrate Fructose, Mannose and Galactose Metabolism 48153 LC/MS Polar 803 2200 225.06159 3458-28-4 18950 C00159 HMDB00169 methylmalonate (MMA) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 1496 LC/MS Polar 418 3078.4 117.01933 516-05-2 487 C02170 HMDB00202 methylsuccinate Amino Acid Leucine, Isoleucine and Valine Metabolism 15745 LC/MS Polar 2051 2800 131.03498 498-21-5 10349 HMDB01844 myo-inositol Lipid Inositol Metabolism 1124 LC/MS Polar 363 3506.3 225.06159 87-89-8 892 C00137 HMDB00211 N-acetylalanine Amino Acid Alanine and Aspartate Metabolism 1585 LC/MS Polar 1110 1564.8 130.05096 97-69-8 88064 C02847 HMDB00766 N-acetylglutamine Amino Acid Glutamate Metabolism 33943 LC/MS Polar 100001253 2140 187.07243 2490-97-3 182230 C02716 HMDB06029 N-acetylserine Amino Acid Glycine, Serine and Threonine Metabolism 37076 LC/MS Polar 100001851 2000 146.04588 97-14-3 65249 HMDB02931 N-acetylthreonine Amino Acid Glycine, Serine and Threonine Metabolism 33939 LC/MS Polar 100001274 1700 160.06153 17093-74-2 152204 N-formylanthranilic acid Amino Acid Tryptophan Metabolism 43549 LC/MS Polar 100004561 900 164.03531 3342-77-6 101399 C05653 HMDB04089 orotate Nucleotide Pyrimidine Metabolism, Orotate containing 1505 LC/MS Polar 445 1638.1 155.00983 50887-69-9 967 C00295 HMDB00226 orotidine Nucleotide Pyrimidine Metabolism, Orotate containing 35172 LC/MS Polar 100001416 2250 287.05209 314-50-1 92751 HMDB00788 perfluorooctanesulfonate (PFOS) Xenobiotics Chemical 57564 LC/MS Polar 100010955 662 498.93021 1763-23-1 74483 C18142 HMDB59586 phosphoenolpyruvate (PEP) Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 597 LC/MS Polar 463 4212 166.9751 10526-80-4 1005 C00074 HMDB00263 pyruvate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 48990 LC/MS Polar 823 1083 87.00877 127-17-3 1060 C00022 HMDB00243 quinate Xenobiotics Food Component/Plant 18335 LC/MS Polar 100000442 2432.9 191.05611 77-95-2 6508 C00296 HMDB03072 ribitol Carbohydrate Pentose Metabolism 15772 LC/MS Polar 100000406 1789.6 151.06119 488-81-3 6912 C00474 HMDB00508 ribonate Carbohydrate Pentose Metabolism 27731 LC/MS Polar 100001007 2425 165.04046 8/3/36 5460677 C01685 HMDB00867 ribulonate/xylulonate* Carbohydrate Pentose Metabolism 61858 LC/MS Polar 100019968 2350 165.04046 salicylate Xenobiotics Drug - Topical Agents 1515 LC/MS Polar 501 802 137.02422 69-72-7 338 C00805 HMDB01895 succinate Energy TCA Cycle 1437 LC/MS Polar 252 3149 117.01933 110-15-6 1110 C00042 HMDB00254 succinimide Xenobiotics Chemical 41888 LC/MS Polar 100003696 2155 116.03532 123-56-8 11439 C07273 sucrose Carbohydrate Disaccharides and Oligosaccharides 1519 LC/MS Polar 935 3092 387.11442 57-50-1 5988 C00089 HMDB00258 threonate Cofactors and Vitamins Ascorbate and Aldarate Metabolism 27738 LC/MS Polar 100001022 2384 135.02989 70753-61-6 151152 C01620 HMDB00943 xanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 3147 LC/MS Polar 1004 2023 151.02615 69-89-6 1188 C00385 HMDB00292 xylose Carbohydrate Pentose Metabolism 15581 LC/MS Polar 826 1727 195.05103 609-06-3 135191 C00181 HMDB00098