Metabolite_name RefMet_name S00009477 S00009478 S00009479 S00009480 S00009481 S00009500 S00009501 S00009502 S00009503 S00009470 S00009471 S00009472 S00009473 S00009474 S00009475 S00009494 S00009495 S00009496 S00009497 S00009498 S00009499 S00009488 S00009489 S00009490 S00009491 S00009492 S00009493 S00009509 S00009510 S00009511 S00009512 S00009513 S00009514 S00009482 S00009483 S00009484 S00009486 S00009504 S00009505 S00009506 S00009507 S00009508 Factors - Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:High Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Ad lib | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:High Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low Feeeding:Calorie restricted | Running Capacity:Low 11BETA_21-DIHYDROXY-5BETA-PREGNANE-3_20-DIONE 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione 476477 1654198 11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE 11beta-Hydroxyandrost-4-ene-3,17-dione 41390 212727 252256 229139 227793 267879 243325 180614 267597 217836 310510 303604 285294 198595 260473 282863 286525 230585 330137 236342 244048 389651 312580 217099 279713 13(S)-HPODE 13S-HpODE 4727405 2534661 2551533 2002846 572654 1924709 729711 8382850 2539208 5452541 8628758 10062428 1670263 2404419 2603142 297906 4587837 3387108 5639285 5129986 4875609 4113372 4657985 4428125 3991285 5837622 5731406 15(S)-HETE 15S-HETE 52470181 14432774 58662057 206839792 120471954 173515400 203931875 172484214 281334730 135155989 297240807 120985937 11283813 131939013 207732760 105102086 136891545 214272124 94917791 22914206 12692726 159843050 138001763 153686322 122851680 92718735 192198832 105472067 25710586 128200875 21986353 261015093 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 1-Aminocyclopropanecarboxylic acid 10471 23868 21134 37197 11205 1-HYDROXY-2-NAPHTHOATE 1-Hydroxy-2-naphthoate 11728 38104 52140 43663 56942 57147 10001 55219 25355 58888 14856 63898 2_3-DIPHOSPHO-D-GLYCERIC ACID 2,3-Diphosphoglyceric acid 21173 22944 23298 32359 16296 2-CARBOXY-2_3-DIHYDRO-5_6-DIHYDROXYINDOLE Leucodopachrome 1171972 13052 509175 1584578 1098809 1246822 377332 653153 1296183 369182 1309541 1474862 2970076 2320723 318905 2`-DEOXYURIDINE 5`-TRIPHOSPHATE UTP 15645 2-HYDROXYBUTYRIC ACID 2-Hydroxybutyric acid 214055 159545 154563 184033 164580 154399 166504 198271 131733 189238 158034 161766 284723 175735 228626 189437 233771 128917 195170 238398 163091 260571 287541 268114 156010 177537 108968 180549 132064 168478 366901 154686 387931 254970 90806 266374 318000 400696 260170 129260 2-HYDROXYGLUTARATE 2-Hydroxyglutaric acid 391466 405376 387579 25032 272358 359117 26960 542985 469247 329416 493737 327721 413293 310189 317105 607824 588934 526563 469596 458589 444432 387038 355937 477928 614440 362768 464785 520880 328534 631167 560782 547214 379106 2-HYDROXYSTEARATE 2-Hydroxystearic acid 2779597 2552826 1610134 2835388 3264083 1540233 1921102 1769020 5153350 2215177 2027509 4702459 8566394 5160024 2659873 5072459 3585042 3309591 2951840 2922381 450819 1758548 1459446 2308480 1438230 1211281 1205734 1568050 2003515 2110160 3550854 2322897 2021959 2968827 2573679 3596289 2057805 2195547 2-OXO-3-HYDROXY-4-PHOSPHOBUTANOATE 2-Oxo-3-hydroxy-4-phosphobutanoic acid 2530523 3027307 2537305 2533275 2653804 2345484 2124580 2460526 1863783 2577907 2710849 2062405 2306152 3284635 2121062 2695230 2714114 2775367 2852948 2467514 2375366 2803571 2962255 2368450 2665870 2578341 2469021 2559876 2439838 2305628 3066999 2562840 2506308 2524381 2671286 2838615 2639995 2399156 2-OXOADIPATE Oxoadipic acid 27494 12187 24352 20094 38368 12019 30011 16158 19406 18337 19666 26904 25209 30025 20596 16138 17416 22163 16158 30861 34412 25256 24882 18047 17158 34214 26902 20309 30937 2-OXOBUTANOATE 3-Methyl pyruvic acid 14519 26889 15656 20380 20551 14291 13715 49194 10999 33454 19527 30081 34896 79162 26216 3-(2-HYDROXYPHENYL)PROPANOATE 3-(2-Hydroxyphenyl)propanoic acid 417651 364424 188468 81699 134446 103768 181037 121110 257539 142914 95994 112522 350015 126030 288487 83903 114317 94038 443785 497585 333055 200128 309549 328915 283055 242648 286592 429730 384754 421073 357455 145537 437530 300048 228815 3_4-DIHYDROXYBENZOATE Protocatechuic acid 164096 116797 119577 202951 117504 170822 196475 100284 160214 203323 120056 99626 97759 30120 100374 97125 146602 228061 257754 224740 158647 193716 88852 205327 170813 195599 258353 80623 263156 260160 144980 209872 247696 135771 209466 64894 3_4-DIHYDROXYPHENYL GLYCOL 3,4-Dihydroxyphenylglycol 21172 37097 36618 25101 3-(4-HYDROXYPHENYL)LACTATE Hydroxyphenyllactic acid 6490239 2733014 10486264 14310272 10989443 3ALPHA_7ALPHA_12ALPHA_26-TETRAHYDROXY-5BETA-CHOLESTANE 27-Deoxy-5beta-cyprinol 680313 540429 357026 755165 622035 1019653 611627 724579 559099 627699 524230 461825 456052 556905 526723 1380149 283496 756082 789976 994398 435249 669406 593159 600297 440770 473535 450804 819205 1159906 413813 1167676 370055 383999 968622 693011 974805 369845 3ALPHA_7ALPHA_12ALPHA-TRIHYDROXY-5BETA-CHOLESTANOATE Coprocholic acid 789137 715731 1009222 786537 1627535 613194 532921 725645 514505 643114 774837 630549 288685 2842014 764098 444621 496348 89250 1129281 128597 295596 93382 724625 352410 489573 658336 584417 702611 3ALPHA_7ALPHA-DIHYDROXY-5BETA-CHOLESTANATE 3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid 256927 795963 539788 678422 429989 236570 985764 769900 513115 606281 575536 694597 962997 954322 440607 227704 842765 750062 387928 968969 638668 713749 779381 654966 1017373 3ALPHA-HYDROXY-5BETA-CHOLANATE Lithocholic acid 199995 81115 215038 142787 192086 125769 203900 49972 117617 319732 112267 200542 286867 341222 192012 11750 522687 58281 139694 143207 155312 194388 61083 191143 292613 83034 154750 164930 295956 71111 353508 135346 191736 143425 194804 261684 116911 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid 61995 31818 40415 18226 24540 72562 76209 160156 149278 129590 3-HYDROXY-3-METHYLGLUTARATE 3-Hydroxymethylglutaric acid 1793895 89038 87507 82974 1494034 1389503 1430432 86048 94945 76095 1476371 158027 333569 86462 85015 2234551 71027 86405 1022264 76073 119224 2704741 2533599 2562632 1516941 1792461 119392 95486 80848 92980 2982678 420869 2618805 2241299 87798 2001721 125040 2834524 2015525 74121 3-HYDROXYANTHRANILATE 3-Hydroxyanthranilic acid 46526 16664 33198 27638 34720 51093 25373 43931 3-HYDROXYBENZALDEHYDE 3-Hydroxybenzaldehyde 20758 24459 24460 19923 17607 13723 10535 17364 15231 3-HYDROXYBENZYL ALCOHOL 3-Hydroxybenzyl alcohol 36497 38993 13486 44194 44679 39386 49057 21059 49473 41074 34836 43565 49262 38406 39800 46839 50840 44706 59460 39627 47653 55135 27576 40111 23908 20538 41808 19876 22194 32448 53535 25812 28834 32620 32516 63264 65665 72014 60487 3-HYDROXY-DL-KYNURENINE Hydroxykynurenine 58051 15449 33237 20600 39954 40088 51257 16586 14353 22482 3-METHOXY-L-TYROSINE 3-Methoxytyrosine 80418 125218 22229 104216 3-METHYL-2-OXINDOLE 3-Methyloxindole 30894 44447 41915 45841 45984 35187 46940 49247 50625 44779 54027 13390 44691 51207 50734 47524 45774 36525 52556 40661 50042 54157 38713 52747 44552 49269 51637 39207 56065 49034 42909 37336 35461 47389 39131 48665 44243 3-METHYL-2-OXOBUTANOIC ACID Ketoisovaleric acid 414473 650398 547433 586123 566121 643379 623118 623856 500939 551801 543071 516799 646686 656929 592216 985834 541197 396600 433015 514965 492696 776663 774615 527568 503833 883311 514032 737553 518929 880706 697496 626395 1047852 657786 490203 595058 616662 809806 515337 498649 3-METHYL-2-OXOVALERIC ACID 3-Methyl-2-oxovaleric acid 17994 69235 64341 59967 55292 83231 74269 78984 52610 72476 68057 78012 108563 79576 100115 70435 64914 65864 86756 66595 86601 105462 74878 67355 82600 48267 58899 92957 47392 59691 77665 65655 69439 62685 48939 74330 76043 67968 59685 51972 3-METHYLADENINE 3-Methyladenine 87992 70835 77958 99210 60718 75689 46481 75917 66410 100709 66681 62792 58403 72904 73435 75433 30844 92820 73482 66383 3-NITRO-L-TYROSINE Nitrotyrosine 94311 20296 15835 35714 49170 117954 58814 17305 3-SULFINO-L-ALANINE 3-Sulfino-alanine 11844 12858 26028 13727 4-(2-AMINO-3-HYDROXYPHENYL)-2_4-DIOXOBUTANOATE 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid 104794 103318 97130 29745 45906 74319 68608 49652 13324 144516 74639 125817 98512 75591 19742 128294 174801 49406 125537 112679 72426 136082 126007 65537 4-ACETAMIDOBUTANOATE 4-Acetamidobutanoic acid 35097 67069 66681 47523 22737 50284 89079 16266 43547 55341 37466 62390 47045 66911 53248 44559 43664 32024 54907 38140 69392 58650 33861 34648 85990 50071 89351 44748 80195 87333 57493 106500 103958 46912 48538 91537 55233 76014 4-AMINOBENZOATE p-Aminobenzoic acid 63466 57565 193389 50940 54538 71436 73334 96417 76320 71345 74515 57164 68232 73720 78636 68921 98111 88476 86895 163296 81848 96880 109574 78647 104275 109904 84440 97664 120187 106118 79008 89205 52897 115343 128967 4-ANDROSTEN-3BETA_17BETA-DIOL DISULFATE 4-Androsten-3beta,17beta-diol disulfate 64224 35020 25502 76301 125064 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID Kynurenic acid 561935 1164943 1123586 216658 555936 345859 401979 1187690 746604 524289 17984 788745 444923 491233 437483 384482 42842 57746 806610 1019883 598963 345454 571400 419312 904881 787422 448529 703372 897106 200321 57180 1324798 1735753 75832 829158 4-HYDROXY-3-METHOXY-BENZENEMETHANOL 4-Hydroxy-3-methoxybenzenemethanol 16424 25769 12121 57492 26981 46579 60342 35582 40927 28480 67199 16730 23900 29356 29256 54879 14591 23608 47807 96529 41852 4-HYDROXY-3-METHOXYPHENYLGLYCOL Vanylglycol 24854 25466 19346 16995 31355 4-HYDROXYBENZALDEHYDE 4-Hydroxybenzaldehyde 29309 15045 20840 39750 24293 12753 4-HYDROXYPHENYLACETATE 4-Hydroxyphenyl acetate 140510 31612 31328 30639 47423 94544 45654 70424 4-OXOGLUTARAMATE 4-Oxoglutaramic acid 149380 143202 310511 174623 140148 117479 121794 114589 104769 123544 122361 75014 107661 112456 85136 163258 133723 142116 146716 110852 107681 219877 183968 78958 129964 131703 85960 154071 98287 105872 417122 185299 170513 195256 142653 132050 190717 276606 175187 150371 4-PYRIDOXATE 4-Pyridoxic acid 14094208 13510251 28441777 4417816 8961396 8104213 6776639 5585093 6827432 21322794 7941617 4237114 3617489 9642479 4609108 4299555 4922593 5903431 6020684 12229160 12902602 18727975 7918159 15450235 6097015 7363169 5661968 10442343 17038176 7460807 13761440 10435684 2859334 23858308 26503302 6584033 4-VINYLPHENOL SULFATE 4-Hydroxystyrene 436001 306696 228689 175647 264867 265188 273127 247726 254591 235672 252614 239611 159561 244929 285321 259848 208433 188487 147667 186391 339015 345049 311171 234828 256265 391675 200418 417982 323998 246632 392542 355236 354696 205127 167230 233263 315034 208251 210647 308738 5_6-DIHYDROURACIL Dihydrouracil 18010160 16903011 18008119 21900075 20218603 21236128 19715493 20245158 19113265 16246279 20644595 21204723 22436483 20693440 20326524 20521229 21671665 20545070 19341623 18624158 17672090 19847657 18734935 17920618 19897354 20501253 19164715 19823713 19204455 18870017 19078289 21176207 15309813 15604574 19074802 5-AMINOLEVULINIC ACID 5-Amino-levulinic acid 33086 82037 80257 27180 29095 106262 26445 64803 42731 74685 47812 5-HYDROXYINDOLE-3-ACETIC ACID 5-Hydroxyindoleacetic acid 364426015 362087287 371669557 366700381 370152002 366423478 368750975 354770401 357184574 365092195 353482244 360651779 369839565 370131049 360523515 360332521 369007748 356234148 362762815 362197393 353696359 354906051 348502473 359250299 359484713 351468786 357116447 359984455 356148926 353906168 351251597 369336553 359538273 354664793 356148141 358814744 358121169 353504186 350552791 363371557 5-HYDROXY-L-TRYPTOPHAN 5-Hydroxy-tryptophan 29999 24894 32818 54570 45977 53325 29144 43836 32260 46127 66259 39713 33666 13011 24845 21959 17027 41238 64545 47672 33424 34545 46598 34030 5-OXO-PROLINE Pyroglutamic acid 1327769 1686297 1457121 1965390 1639116 1846807 1895509 2163783 1901048 2529232 1829176 1291500 2250520 2938226 2238008 1546377 2279463 2079039 1835381 2219965 2722680 1812072 1558165 785492 905734 835198 1040203 1404009 1213738 1193343 1302620 1295853 1809613 1671720 1789974 1653327 1879302 1749149 1706310 2219733 5-PHOSPHO-ALPHA-D-RIBOSE Phosphoribosyl pyrophosphate 11467 6-HYDROXYNICOTINATE 6-Hydroxynicotinic acid 38667 29706 17739 27729 32545 37382 21519 42065 23641 6-PHOSPHOGLUCONIC ACID 6-Phosphogluconic acid 27214 38772 21839 25681 7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE 7alpha-Hydroxy-3-oxo-4-cholestenoic acid 4202930 3758717 6618584 4110366 2544125 2594490 5460534 4458026 3395107 3689136 3065242 2877334 8627279 8099876 3711497 3478773 9354724 4539048 3466956 4790247 3936899 6945781 7909116 9875186 5140742 7263351 7349111 8778589 12496538 3601730 9111873 6638578 5256462 8454408 10370437 6295505 9(10)-EPOME 9(10)-EpOME 1305443 892217 811551 961767 1486387 870120 1042570 825990 1300126 862687 1048388 1175611 1072445 1033451 761208 1590319 939335 1139887 1128586 999641 1621636 914637 928113 636957 1428013 653506 552972 823892 809464 1433589 882183 1472979 699674 856223 1027294 913473 1391953 1003923 681184 ACETYLENEDICARBOXYLATE Acetylenedicarboxylate 294738 212148 186204 346348 269952 218291 213017 ACONITATE trans-Aconitic acid 365503 1096279 1963126 2002102 134146 1203580 1174650 102653 582251 150868 1791054 1232046 838794 231348 1465468 736743 1206278 177935 1262220 1112133 1861532 1794645 1253944 1557085 1129004 1569537 1615563 1370286 1546033 1810712 1976784 1070997 1480054 1364942 332272 318604 1884856 1597311 1575038 ADENINE Adenine 44117 49722 33612 23785 118823 48747 37475 46010 39547 47157 36672 63504 39336 44964 36682 47148 ALDOSTERONE Aldosterone 1008171 6215204 542106 599252 396515 395763 427831 474188 739308 875271 902836 ALPHA-TOCOPHEROL alpha-Tocopherol 299296 84771 111922 146696 90298 135210 131623 128362 250041 155335 154919 162434 49527 125984 86191 97238 58363 76742 92263 109038 281471 53773 64032 234359 49812 228044 217624 89057 117786 165190 102311 425484 AMINOBUTANOIC ACID Aminobutyric acid 11610 21521 23985 13802 21661 12257 17735 13940 14089 16614 AMINOHYDROXYBUTANOIC ACID 1598821 1745986 1562333 2174644 2998868 1860495 2013957 2269142 3215317 1859322 2157292 1686178 1405060 2083109 2331853 1024894 1225032 1702153 1373557 1416855 1485375 2144251 2152487 1337641 1702072 1700569 1722158 2556325 2219752 2058511 2348444 1753308 2208329 2205867 1835719 1719249 1938191 2293482 1698076 2367472 AMINOPENTANOIC ACID Aminopentanoic acid 8713859 10405162 9557081 11487443 11578672 10697979 9422127 8786199 10600685 7493190 9378215 8808748 7344290 8149446 7492967 7150419 6163445 6036341 5532844 5716975 6037583 13196128 13528732 10026312 10238287 11835217 8588766 12821242 10024229 11247396 17004103 11364461 13129695 12667627 5988100 12451076 11611381 13672952 9008264 8245868 ANANDAMIDE Arachidonoyl-EA 1242714 529032 512118 429732 468300 1336080 ANDROSTERONE GLUCURONIDE Androsterone 3-glucuronide 12121 63104 41378 14729 15343 ANILINE-2-SULFONIC ACID 2-Aminobenzenesulfonic acid 14421 ARACHIDIC ACID Arachidic acid 669967 314189 719405 410674 944043 1376643 335946 1066676 662028 866753 589101 294403 315239 403321 283527 425399 522895 556575 585187 662979 279701 621852 483780 410735 388829 553733 ARACHIDONATE Arachidonic acid 273616667 457304565 231193546 414141467 510719276 471827592 427784061 349943994 392211960 392463689 256766201 364209591 364007801 388003792 206927679 344382236 374955695 446291350 336348315 417328523 225218434 85398045 145189721 239846432 317688904 267498653 297366006 352333521 240396767 416957177 237087098 245028148 287322783 327953432 248227101 263959056 ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE 18616681 11284215 22409601 22562182 23869253 23959703 13437430 18596546 14483932 16310262 13767221 12875482 22181227 8553831 17802755 14036727 15950544 11175806 15847728 17374749 13701927 13930180 12492407 17640542 14325962 21256356 20340497 25480081 27727630 12425920 28317722 13428903 17934554 15756826 13252076 20959802 18228469 18173533 ARACHIDONOYLGLYCEROPHOSPHOINOSITOL 438168 777930 787737 826645 769358 753798 1481556 548114 915420 629428 548792 695120 348930 527871 897599 729436 472368 587446 749004 735660 874883 803446 303266 536739 854159 684301 1231298 898064 984037 1017346 534808 874245 631061 453195 524906 734436 829165 752388 ARGININE Arginine 11853131 12227438 13201724 13635440 14284383 14553673 13754193 14903428 12842739 13966119 13221323 12053100 14115950 14539724 15044149 12923734 13120468 13475055 13100609 15066686 14676533 11476543 11287181 10763375 12079580 10603334 12890240 11040599 11072681 10418900 11043216 12364501 10448733 11180593 12422536 11834308 11086299 10099662 10235623 11124456 ASPARTATE Aspartic acid 99509 87146 156953 158459 122829 179121 181153 169963 85436 127730 205843 191757 77224 123756 182367 122923 242887 26083 46379 77736 74123 93673 140095 109791 201074 AZELAIC ACID Azelaic acid 223882 77047 44401 83223 98057 170568 197966 41502 100259 249604 247285 98329 344924 B-ALANYL-N(PAI)-METHYL-L-HISTIDINE Anserine 4386056 4571398 2259615 6950407 4811871 1420332 849572 6499805 9605271 7151782 6007370 5126719 3658713 1237764 461657 1055750 1031603 3637584 1950031 17657203 10007844 12755002 3259303 16522483 7066620 22313863 5671375 8541061 8900587 13605593 15675524 8759134 2739412 12533540 6751816 15136738 13426881 7997465 BEHENIC ACID Behenic acid 55256 108801 102469 52063 70788 BENZOATE Benzoic acid 64241 38096 38990 65191 39413 31829 44358 52296 BILIVERDIN Biliverdin 14788 39531 BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH 16092 BOC-ASN 125039388 114701464 123521955 147862319 143689794 141543903 129659616 140145707 127712677 109524364 143849248 145109462 148121261 141082451 141965941 136883230 149779600 140398726 131697075 121629049 120863089 139293771 128089389 120569782 135601560 132523140 126535666 129050279 133575346 128096386 130427797 141953075 103454806 100418645 130673994 BOC-ASP-OH 107223726 116805864 115227942 113425789 111220427 115457694 117837050 108571675 112737874 111715288 108429957 111061258 112312500 112492748 107950324 109285363 104145712 104936179 120922154 120195900 113973718 118317799 105336928 115927116 116476618 109660187 117031211 129739239 115940445 109321606 120251158 109694692 114004807 117477015 110150026 106807676 BOC-MET-OH 95742 61250 137866 121060 95368 79964 135512 73878 87047 34539 21888 21177 118084 73732 82482 105931 54304 197058 181758 222616 95537 83081 78303 43482 125811 159133 112419 206336 58281 221047 235618 240704 194706 68014 BOC-PHE-OH 110917933 114974177 113634007 115059165 114493868 110976266 111574645 112402245 110101874 112786797 114149326 115334435 112023859 111763792 113833459 110902673 115087938 111009102 111536734 109107091 111009811 110993978 108364664 110963628 111828022 109359282 110770376 110102008 114016014 112269694 112116317 110959249 112128774 111759105 111622089 BOC-PRO-OH 96490 74102 46047 29985 81551 20524 54518 76236 75450 85704 77496 27431 86022 119995 22589 43152 45208 65447 55700 30453 40121 51310 105696 63699 84480 38008 BOC-THR-OH 16205 16518 [C13] METHIONINE Methionine 1700588 1694898 1850366 1900720 1834842 1834653 1864975 1829931 1879421 1856016 1806813 1772487 1912861 1944018 1879129 1793426 1908005 1847021 1899709 1900520 1561704 1591552 1655599 1834647 1643622 1980037 1660964 1745009 1659199 1445962 1843875 1511075 1670988 1967413 1628732 1636262 1536576 1524255 1925087 [C13] PHENYLALANINE Phenylalanine 12529700 13637650 14094712 14134062 14348403 14461677 14807511 15058933 13121281 13363721 13721816 15074983 14865464 11858932 11022462 12366946 10871379 11347946 11419874 10793514 12739538 10959585 11598104 [C13] TYROSINE Tyrosine 4576974 4908593 5120356 5464729 5256587 5550927 5467020 5495331 5093713 4864970 5421650 5444914 5396543 5143496 5293577 5286499 5418536 5565157 4127506 4245081 4569895 4982161 4414693 5394935 4515070 4965718 4694933 3757578 5128744 4103336 4417524 5549082 4412148 4056489 4382362 5350209 [C13] VALINE Valine 2070786 2048193 2286808 2346249 2191511 2253274 2269607 2201969 2323022 2279546 2069858 2113491 2326244 2288218 2199940 2261746 2175471 2214372 2191086 2282216 2349855 1903925 1945769 2073035 2233904 1895795 2442828 2091998 2102799 1991758 1797732 2261961 1832681 2014328 2321222 1991145 1970360 1858798 1962360 2227509 CAPRYLIC ACID Caprylic acid 82594 185060 68527 55273 193215 152888 134539 168565 116863 156691 74976 85422 153671 65350 132358 200053 570307 55916 149875 51792 50203 176827 117127 164276 120911 107795 98562 73594 216829 263461 138222 90889 264532 75176 146244 191792 118554 74756 CARNOSINE Carnosine 203782 209852 284096 158027 308332 460534 230381 212769 10769 15318 214121 69013 1017661 566521 609697 752899 369068 1023749 325674 480881 431731 771191 601669 459051 438281 438856 654842 575269 478857 CATECHOL Pyrocatechol 74918 133306 55962 34015 34456 66652 40046 44536 94939 34182 50536 33732 85232 40860 88601 31584 20076 260840 214164 200835 112633 190704 100518 156173 119772 210474 167319 145797 244375 218921 161837 373565 310402 221401 CHENODEOXYCHOLATE Chenodeoxycholic acid 19886822 8289429 11914038 19457521 13197163 8821770 5526414 3256764 6310356 25796255 10310144 44718494 19886835 26964991 10636998 5427776 34568397 3258892 5858838 7303880 16627768 9295748 21439861 2295999 2503089 8811418 11442716 5310016 3955336 5067909 12630795 5106552 19885428 6050625 8473078 8881370 8612650 7174010 10830759 8463120 CHOLATE Cholic acid 24665464 8383499 10378357 58962678 6512281 15835102 26634609 7926277 46195661 19945262 18492978 54766154 30360244 9788392 18907292 2657453 27642757 1584769 1699913 4238999 21429480 5088613 3715687 489209 229305 5232801 13880608 3603253 5068352 662183 9954175 821494 3550358 3907693 1183276 6850653 2807731 4675784 12092663 2021239 CHOLESTEROL Cholesterol 461739 410247 499348 437489 374759 477666 365552 244064 498777 555723 424685 533715 608344 514110 459199 504516 853165 423535 417099 466050 548937 636439 693810 300217 566416 482562 254730 500722 560114 624608 461404 788736 603336 434484 449467 723474 734210 709797 522373 CHOLESTEROL SULFATE Cholesterol sulfate 4390273 4497248 5495694 3219609 982547 3132096 3756742 5148459 4019125 2551273 654718 3462836 3533801 3145836 1976100 791753 952261 1973258 2365846 913807 3613850 2275500 2354102 2305975 943021 1777073 2544144 4697832 2131509 4952373 CINNAMIC ACID trans-Cinnamic acid 59745 61383 49573 52916 53389 34029 98984 58950 160059 33521 53136 165408 193316 69008 76529 79201 96566 150382 142172 112693 73397 89217 67131 67740 133524 75207 180418 119941 74948 90089 179505 208365 134845 CIS-7_10_13_16-DOCOSATETRAENOIC ACID Adrenic acid 4911114 4015927 4520658 2987224 4519594 6621037 3173328 5687143 4513708 6405103 4098928 3201680 3982279 4289276 4076297 3629660 4254485 6060043 3572636 2601541 2781197 4098148 4307979 5006281 2242738 4525691 8036967 4489979 4071477 4652019 3554442 4552192 4863640 5085810 CITRATE Citric acid 7327042 9100600 9867473 5053256 10400178 8087613 4499777 5232923 5140757 7090456 9212459 6240901 6241559 9042915 6369078 4293615 8053777 6482758 8420642 8430558 6793688 7797373 7726915 5308408 6593337 8057791 8567283 8046760 10200574 6180409 6746601 7820181 6057531 10026856 6174228 7948894 CITRULLINE Citrulline 429546 501368 1306749 997729 951637 995083 932514 1055139 1037082 983894 1414361 1431385 1290057 1082733 687062 1006381 779688 823802 1013449 956353 700437 976304 470600 386417 383654 1336017 824699 789182 657858 522841 1036535 461252 587068 820419 608120 696459 582144 969028 931301 CORTICOSTERONE Corticosterone 12551653 21701483 11445863 17321074 9128324 13193582 14083851 10027839 8809161 12552977 7588565 10088852 11269116 7947409 6362156 12445689 9467772 8357631 14713580 11758608 11915880 23341621 18061253 9531908 15926670 8640538 13088832 12143115 11241488 18853956 11518331 26734118 12973027 6744124 21058100 15797803 21028419 15939786 7172295 CYCLOHEPTANECARBOXYLIC ACID Cycloheptanecarboxylic acid 16637 CYS-GLY Cys-Gly 10868 CYSTATHIONINE Cystathionine 577724 1186435 283360 440507 499620 292510 1027172 508492 522421 442800 1149728 DECANOATE Capric acid 300727 214706 210408 168345 184231 205486 277427 212861 325381 245652 345245 178468 242467 407088 208910 182825 295227 552403 245908 431836 213261 208089 278949 214068 179300 248556 274028 279794 252094 238169 207212 199309 186931 247060 240810 287222 294490 365616 279867 226556 DEHYDROISOANDROSTERONE 3-SULFATE Dehydroepiandrosterone sulfate 16056 11977 20836 42645 15330 14908 25129 38429 56732 51823 16232 DEOXYCORTICOSTERONE ACETATE Deoxycorticosterone acetate 36725 452541 59423 27122 78024 116276 106850 46677 126543 170817 DESMETHYLNAPROXEN SULFATE 269808 78239 164033 66905 44115 88631 33811 94298 364570 128779 166980 117034 63935 360500 DIETHYL 2-METHYL-3-OXOSUCCINATE 4-Heptenal diethyl acetal 14918 17111 16892 24124 DIHEXOSE 93759 30934 61793 80168 18845 76693 82280 98659 41327 83943 132183 132899 41232 66606 48483 184033 190384 105096 91343 82844 148278 78095 117095 127525 156866 104881 121274 162408 149773 111551 DIHOMO-LINOLEATE 11Z,14Z-Eicosadienoic acid 6063290 11791991 4864249 8275860 14477204 13304717 15336088 12331119 8768678 8156241 10442852 2372289 6882183 7627034 7546240 3861853 6415150 6869609 6375118 8083949 5823651 6351787 2693332 3529033 3043666 4918111 3774826 6745778 7271234 6461626 8594377 6015430 6486424 2655644 6250217 5458242 281331 7078763 3522788 4475338 DIHOMO-LINOLENATE 32196371 12965642 26509105 12285834 36175744 43643457 34409182 24435172 30913837 25827385 7835726 23315686 26078594 25455227 15980327 18892381 9837881 21284412 24949565 22636616 15793242 8482363 5051366 4256646 9528164 10094962 15048860 15676698 13281484 16957756 10279310 21866316 7995604 13808779 17085805 10123637 17851947 10421545 11803140 DIHYDROXYACETONE PHOSPHATE Dihydroxyacetone phosphate 11004 19889 16930 15120 27226 DIMETHYLXANTHINE 8047148 5549134 9931935 9155277 3569792 2231944 5122216 2284923 4648246 2033883 1666815 7473203 3611409 2775604 1661168 7047218 2973050 3380910 2367861 2648419 1860995 8121895 9604392 10818856 5601738 6363112 5594312 6138122 4996044 9149187 12183068 5510292 7102585 7052159 5574329 7425176 12004915 14200990 16099481 7768349 DOCOSAHEXAENOIC ACID Docosahexaenoic acid 136594 97318 132398 155722 167251 118025 154525 102893 171966 66941 180429 108859 DOCOSAPENTAENOATE Docosapentaenoic acid 6572620 3005248 2929918 3269391 3588414 2305874 2327721 668301 1274167 2489312 1319301 1745974 1010508 1549965 1006399 1235293 DODECANEDIOATE Dodecanedioic acid 353984 37758 156164 620429 324325 319160 161102 268794 362047 164788 343074 815535 51346 115139 269219 264950 398079 609798 232418 452496 45179 652145 497975 275417 243471 421312 367083 152398 102292 334373 956012 561476 611642 420739 194382 266574 765814 498832 664959 213473 DODECENOATE Dodecenoic acid 66487 102450 51437 65695 140381 166507 125364 116199 89170 192482 116964 90910 233974 325482 259404 51285 209615 182256 102673 164987 130182 132024 53373 74264 42641 88472 54450 53527 109049 65564 103648 64844 112497 46017 120642 59611 65893 115011 79184 72820 DOPAMINE 3-O-SULFATE Dopamine 3-O-sulfate 63323 26137 46421 33469 16441 32946 31863 16568 34514 51687 27299 16941 29067 32800 23457 18072 47897 22361 29180 17773 15186 34088 ERUCIC ACID cis-Erucic acid 20412 ESTRADIOL-17BETA beta-Estradiol 120456 48100 100065 27655 179956 128998 133333 91920 251743 106494 46277 105722 47560 171990 159306 FORMYLANTHRANILATE Formylanthranilic acid 226274 196894 275094 119177 238507 131023 119253 219431 177401 202015 173580 220905 182542 180623 159406 130638 51690 358737 137450 FORMYL-L-METHIONINE N-Formylmethionine 105656 98483 103548 55328 54717 91184 41316 319027 45859 42935 49246 69353 81855 36678 108655 41191 60781 41289 87566 39765 47979 67299 149338 89978 108517 62656 86937 82762 127216 202221 43563 FRUCTOSE 1_6-BIPHOSPHATE Fructose 1,6-bisphosphate 15439 FUMARIC ACID Fumaric acid 374840 284990 376780 214224 242366 245327 318006 307443 777256 466693 260276 328271 849655 345753 273571 275874 334941 616341 770927 649313 460271 458887 314934 250487 236454 250853 663203 179142 442851 571521 234716 760802 698449 751481 397690 GAMA-L-GLUTAMYL-L-ALANINE 15438 GAMMA-LINOLENIC ACID gamma-Linolenic acid 13694117 27576810 10250509 17077216 29887260 34930340 33595377 13338440 20829197 15406591 3511893 23400884 19891637 21069129 10309751 12046149 15864494 23609040 17076433 21424618 9724299 7012128 17792619 5766396 10260173 20841327 17248527 21416907 15702856 18729707 6349231 32152640 7522678 28495297 12515123 GERANYL PYROPHOSPHATE Geranyl diphosphate 36947 36987 40074 45913 41355 52239 44905 36570 30302 28406 94328 41690 16918 43261 16101 29914 GLUCURONOLACTONE Glucuronolactone 148195 847384 780724 906584 262111 324806 247873 253821 619779 1321552 600736 267037 200519 886834 76029 436003 571193 231533 820777 488878 2010711 1104899 1098377 153436 466485 302702 784050 985912 714411 891301 799942 273324 63593 731296 913061 929554 335412 GLUTAMIC ACID Glutamic acid 857307 745199 506266 971546 849673 703250 967752 999046 624667 507682 658563 663212 645011 305119 502476 569017 428642 431980 779159 612654 327378 566766 197908 456314 881180 795945 581735 810675 603993 401809 373120 452026 243097 303495 1025437 GLUTAMINE Glutamine 4538648 5376563 4301577 5897148 5682813 5178071 5205570 6388178 5862157 5089276 4563597 5726818 6053198 5700227 5890049 4908900 4867960 5801479 5697984 5790540 5953017 5897564 5841993 5198457 4572276 5024349 3413432 5117303 4426470 4652971 6312536 3983225 5890882 5385174 4099622 5545557 6372813 6855466 6057501 3899650 GLYCERIC ACID Glyceric acid 31776 31842 45721 111974 162298 82733 27553 26885 126444 68118 28028 26146 49214 78090 GLYCEROL PHOSPHATE sn-Glycero-3-phosphate 17266 16428 12949 11610 GLYCOCHOLATE Glycocholic acid 1574075 555810 1385321 2536797 4348211 9898068 875549 186276 6019283 3579206 4359537 7664020 954083 691788 11614560 145790 4708689 427253 600411 931719 6862688 390313 11440804 465534 397726 139378 4325379 1027325 139380 148059 262355 98025 1432712 4184493 1031811 3896750 483516 4585264 2571610 8366603 GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE Glycodeoxycholic acid 2227089 1598210 1689470 1270049 5460609 1645876 204773 231910 1451309 3722934 1553206 1467794 1727697 2066176 2219721 109234 6917938 683553 340907 239385 3505074 1106296 4724417 363414 173985 300191 2023794 261569 264740 482871 159878 2819076 1544407 2022740 2819387 892418 2217617 1327283 2197066 GLYCOLITHOCHOLIC ACID ETHYL ESTER 253025 233892 196560 386811 144540 310862 206481 411081 206726 204823 22277 232821 174112 147328 147423 205123 140217 GLYOXAL Glyoxal 92295 91643 1587442 96840 1634442 78434 1654016 89166 94542 97438 83281 1134168 1379448 83111 1337304 95305 GLYOXYLATE Glyoxylic acid 31051 16656 16610 19952 27770 27436 14340 13646 14557 27910 23264 15824 15905 14227 24874 24951 14317 27913 23571 35254 15388 GUANIDINOACETATE Guanidoacetic acid 22489 32073 18919 GULONO-1_4-LACTONE D-Gulonolactone 63810 87329 97236 101107 107539 86713 29449 94707 14198 29952 13713 75557 55038 66737 57942 15927 113123 78779 67210 104603 53875 106378 45872 35579 39204 38283 35570 100571 88607 46075 159599 49581 33196 58180 58154 65064 64891 40589 HEPTANOIC ACID Heptylic acid 22678 53354 59586 51201 49198 49690 40792 60091 60385 50266 124335 52960 71684 69585 51527 55247 43474 42140 66397 63460 75778 52141 59164 67317 67491 58996 72274 49379 66535 100005 39375 74223 55114 69896 21005 61292 38144 HEXACOSANOIC ACID Cerotic acid 153745 134673 242803 709795 229664 851569 814769 335840 468877 344872 385707 336119 HEXADECANEDIOATE Hexadecanedioic acid 465529 359333 342203 233937 231989 297927 290062 578814 279540 315081 266655 353898 519262 164153 365860 304598 386581 446938 386959 450413 HEXANOATE Caproic acid 295649 168286 120869 56231 160478 122431 54658 63261 190300 274213 145762 152262 72402 153980 55057 85747 132548 153410 158561 242352 75045 226987 145558 232356 136957 154527 134404 142479 87439 107800 288927 259848 102917 117752 282651 249938 105818 HEXITOL Sorbitol 98096 67419 153749 58749 125144 35433 HEXURONIC ACID Hexuronic acid 564631 472607 621755 896976 389852 364673 615887 508062 533218 337845 388523 663957 478892 356459 306210 521019 342876 344251 326425 428790 404789 531843 580001 539654 519752 529679 376831 481166 530142 530045 568764 649737 571169 562615 370076 610909 668118 737652 605323 562467 HIPPURATE Hippuric acid 54818352 98407774 89380010 22103482 50904825 23022259 45275876 20477000 16095670 75217551 35854413 27602442 16862020 69886622 29759330 33951916 26404286 18739729 79803906 94767670 105757556 54867713 62657569 55100292 61453852 48175189 88688075 117542612 53953581 69406836 70969489 55035227 137336134 155466147 75238416 HYDROXYACETAMINOPHEN SULFATE Hydroxyacetaminophen sulfate 65777 26315 17225 25822 128906 28039 27714 91375 42671 14834 45182 38655 75914 119403 78537 81146 135711 HYDROXYBENZOIC ACID Hydroxybenzoic acid 77239 HYDROXYDECANOATE Hydroxydecanoic acid 251887 226559 215923 95700 116721 156346 276175 113906 375678 328129 349664 121189 138248 349359 118674 182399 335516 873406 192671 413968 120988 165315 417893 238898 77987 283631 307145 238007 162623 132141 162903 108580 171762 302105 232666 368476 334823 622123 245347 154198 HYDROXYISOVALERATE 541067 554030 549589 517494 319077 368610 433877 275703 522733 400016 842667 276474 282601 266607 168850 376162 563652 570388 361113 398958 272979 440311 522625 487404 386859 1025515 329847 269343 636253 271627 476093 421345 260583 HYPOXANTHINE Hypoxanthine 463497 879961 1099327 727315 595955 841311 560008 176872 881719 807706 166799 968341 909565 781643 482361 938244 736656 911820 226244 648381 421844 1391853 1120986 354422 1078649 1014941 861341 686455 589490 827553 580570 646304 606189 1025197 335712 1275782 1649183 730285 1381562 570126 INDICAN Indican 58017426 77060462 44479880 25709142 27513046 23208504 43060681 34729734 58483564 85050299 20388403 34120514 8616582 11249124 29747402 39501017 17995755 26678522 52735677 65322360 58383262 23617493 29194338 63344435 42133551 29929690 57356742 41471614 46031442 64131064 48712401 24444042 119125309 97245572 35534822 INDOLE-3-ACETIC ACID Indoleacetic acid 410376 375494 1443831 269556 182335 190376 341603 232207 259774 268433 516317 451738 142443 220499 132320 294969 341385 227235 229665 224105 163957 402398 511801 478367 203569 651911 215307 297975 179542 388565 335128 439675 338986 337499 127866 253552 329857 399085 359628 141110 INDOLEPROPIONATE 3-Indolepropionic acid 2636614 3733445 5381288 2185620 4825072 2264647 2723855 991971 5220957 1087012 1379169 2405624 1795870 INOSINE Inosine 229505 85985 29256 25050 123423 126807 66842 39735 181925 26583 42418 181444 83187 32457 184396 22850 330506 39197 846035 37095 33043 69508 41657 69264 63716 70171 28232 29958 INOSINE 5`-TRIPHOSPHATE ITP 20883 20329 14680 18467 14487 ISOLEUCINE/LEUCINE Leucine/Isoleucine 43307687 40856947 45382173 40451829 34012083 35281204 40702745 27000636 36701782 29016112 32656428 29369548 28341297 25223140 24627879 23227095 26011145 54436871 59855204 43010393 39562687 46174714 33864606 48835697 36921921 39165020 75857515 44008672 53797046 51121033 20229619 47937888 59594099 35520809 29239031 LACTOYLGLUTATHIONE S-Lactoylglutathione 41376 11578 LAURIC ACID Lauric acid 549157 456936 354015 363569 592556 425105 714848 546814 712860 431468 346292 482536 452863 670637 LIGNOCERIC ACID Lignoceric acid 179968 284870 453272 939849 219522 774485 286372 263675 325907 267984 321849 LINOLEATE Linoleic acid 512592254 228323421 360630723 528699149 602437782 309992592 450076070 447244268 439843313 413877223 230246618 362379819 388655460 429174996 345521955 363749968 180061284 157025544 117060767 128710224 192416862 310102046 267276631 340620202 282494342 310727500 130523676 292790678 167450160 232357273 LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE LPE 18:2 15182743 15539088 17461722 15935885 17773861 15093052 17631519 13389481 25123244 14717590 13025326 15137411 16809219 19966347 12351081 21992419 18273357 19340753 11515903 18831483 25845558 20478650 20346502 13902532 26334257 17802752 26676600 23790699 31580672 25059596 16148616 38655290 18130890 27443412 29557574 30113407 29912830 28841697 MALATE Malic acid 3389649 2819965 3591030 1942006 2094636 2216824 3017273 2911414 2405813 8426250 4557937 2342182 2824210 8769499 3404966 2790208 2435314 3343362 6320122 8044352 6551379 4533287 4360360 2906948 2372014 2134464 2168581 7037753 1393439 4548678 5700849 2050456 8040806 7103821 8174849 3844654 MALONATE Malonic acid 32919 19166 25242 24477 14395 13529 27579 12564 16315 30649 11402 13960 14888 14581 17129 14518 10759 15344 14485 19665 19093 20764 17283 16846 25867 20233 10541 25284 18331 21836 MELATONIN Melatonin 280350 125804 284285 99838 MERCAPTOPYRUVATE 3-Mercaptopyruvic acid 23917 20901 METHIONINE Methionine 8078983 8885437 9678887 7880494 8286652 8507581 6839253 7216241 8882945 7016452 8482303 9812691 5992016 6989463 6508847 6169966 5371495 7123180 6642147 5747360 20185068 19817462 9437228 10591862 12484105 11828847 15599349 12965200 12594795 18419925 11771599 18936792 18926538 13386737 16485639 18795641 18663828 15171461 17071462 METHYL BETA-D-GALACTOSIDE Methyl beta-D-galactoside 129922 205390 32659 53348 65481 50931 147237 141182 67042 21804 118023 180862 72279 76960 509258 473879 185009 251133 274681 321404 470768 383675 444081 411630 489182 452878 405295 347836 384798 507767 23497 458373 MYRISTIC ACID Myristic acid 11160943 4742991 13937277 MYRISTOLEIC ACID Myristoleic acid 332663 215668 1143869 958012 1100925 211939 677262 1126805 948109 885397 299770 701539 840928 1413905 820914 1000725 272308 237186 616797 180191 330410 818061 717351 807555 439349 589043 1152996 660393 446106 421593 N-ACETYL-D-GALACTOSAMINE N-Acetylgalactosamine 48513 20268 14856 21996 33505 14989 20198 17319 16044 12638 13809 15895 13926 16315 27318 38469 16417 39350 34355 32168 36711 45171 20348 18248 35310 20419 16875 82221 N-ACETYL-DL-GLUTAMIC ACID N-Acetylglutamic acid 682527 33241 38204 N-ACETYL-D-TRYPTOPHAN N-Acetyl-D-tryptophan 971238 860463 740443 571843 502180 507179 871447 643930 1247059 715716 493815 421606 826336 842418 520897 561335 825191 1574645 1544562 962130 538761 804120 568836 797231 790493 1066987 1520686 610558 1390817 1460030 761701 1201169 1685520 1543183 725040 N-ACETYLGLYCINE N-Acetylglycine 75791 75262 19231 109825 87784 86643 93502 46247 93257 92895 36594 35357 181316 124558 153813 51478 119274 127797 67135 133318 152740 70412 73624 91776 30266 39357 111770 94752 93988 119976 92344 65459 85124 67854 141538 69243 28165 N-ACETYL-L-PHENYLALANINE N-Acetylphenylalanine 1502617 858599 1126015 369839 580896 655819 675076 674500 562463 779304 534074 2451266 709255 436364 130066 666358 1095910 562442 277389 465932 699603 1313351 1592368 1428187 528061 915044 874127 1064756 1208828 1303234 1049103 836885 1438535 1340463 713793 714424 927042 1518208 2245828 762802 N-ACETYLNEURAMINATE N-Acetylneuraminic acid 208611 164421 122057 241755 229830 211611 233430 207370 234916 152488 170750 138551 220394 155511 140271 116419 112840 122734 100158 168138 179593 169328 117847 134881 81827 83027 319213 131614 147032 350463 231892 158222 132311 170523 108310 136301 104118 80226 226094 N-BENZYLOXYCARBONYLGLYCINE N-Benzyloxycarbonylglycine 30296 54909 55001 39852 52377 112486 45689 64438 92288 59543 N-CYCLOHEXYLSULFAMIC ACID Cyclamic acid 79138936 55099803 98552961 89883743 35489165 22182737 51045404 23103200 45556809 20572983 16213534 75660188 35940196 27723124 16942017 70213954 29908121 34078770 24324760 26496766 18825574 79960855 94898169 106589592 55262289 63075477 55425437 61771763 48300633 89398038 118187133 54223511 69514226 71498409 55225869 74583769 118920665 138599668 156793422 75787016 N-FORMYLGLYCINE N-Formylglycine 14578 20993 28665 10381 27390 N-METHYLTRYPTAMINE N-Methyltryptamine 22329 63233 53761 48825 27717 32448 57341 39177 70011 19651 37978 39672 28734 39507 32414 15816 30425 47330 63234 24798 39983 20060 24440 41199 N-OLEOYLGLYCINE N-Oleoyl glycine 72566 69230 85141 69054 34314 75895 85807 57109 98364 54208 73701 70747 250759 132461 305584 150702 238183 108320 138930 136941 168952 107537 111398 102036 79834 111774 60430 127708 119205 65157 NONADECANOATE / METHYLSTEARATE (*) Nonadecylic acid 1369481 341198 1117354 1640738 2147554 1417351 1369201 1227985 1143766 1783466 404258 1550769 2241766 1923995 564007 1500154 1165464 1575043 1742910 1697205 1162923 552556 587681 444100 365759 591152 706306 1066873 851855 1044233 983809 1511544 529480 1194092 460105 733025 656591 523430 1054126 NONANOATE Pelargonic acid 461379 586865 571920 464338 484537 880629 399425 452199 583298 1091550 529051 395408 490194 737172 777423 518690 821050 1094469 487856 1295386 829849 563236 378264 710125 339762 625213 1079678 1267716 654475 N(PAI)-METHYL-L-HISTIDINE 3-Methylhistidine 3102150 3289001 2081675 4358482 3051261 2472064 1849579 3285622 3193562 3493739 3300096 3264664 3403557 2146694 2011273 3902056 2131740 2220182 2663479 2646548 2368927 5033798 2797670 3668344 2470227 4211794 2243438 2466954 1637611 2569161 3507833 3180305 3761252 3445543 1647882 3668133 3382977 4044997 4170739 1978824 OCTADECANEDIOATE Octadecanedioic acid 2132658 2461501 1968404 1723181 2053802 2286838 2416999 1991307 181138 2406265 2688490 244334 2399475 104575 398394 1940856 2697269 3394720 3258057 5847600 3820793 1376522 4364599 1948941 1999188 2647015 1953666 4383327 2914974 4625377 2797216 4436472 4020791 3155571 4199398 167326 3182094 OLEATE Oleic acid 556758303 199334511 732271783 768412571 330630816 448843688 403000484 95166412 566394876 212117091 425852152 439764978 424284183 399557209 347265645 164744220 135494466 239095379 205235104 306848204 278315806 512890880 135235011 181181952 238942005 OLEOYLGLYCEROPHOSPHOETHANOLAMINE LPE 18:1 20451213 17652634 13765050 28834398 31247947 29757778 26758445 37788710 25728356 27438167 22592385 16131736 28688449 42527241 34783063 10870636 19276364 23687781 17873682 12311102 34965997 32035562 20667825 12498494 13399743 17389183 19951381 28987420 23751663 31925913 34378174 10399567 42883524 20566024 23663381 26445746 21133099 30545762 26748797 24489711 ORNITHINE Ornithine 170089 329607 79433 116318 165793 122369 265850 122714 134425 146979 184423 166933 137902 129263 134135 101968 213254 178448 181086 108721 101585 205617 246787 374897 153820 120090 96410 115459 209343 125798 227676 123003 156713 231733 241729 277278 185671 179650 130677 156153 OROTATE Orotic acid 28224 OXALOSUCCINATE Oxalosuccinic acid 12266 63345 55879 16016 62266 55896 58061 69337 68243 131508 118725 46013 31016 35790 43051 90185 20527 21118 34955 49513 P-ACETAMIDOPHENYLGLUCURONIDE p-Acetamidophenylglucuronide 32949 PALMITIC ACID Palmitic acid 169073002 292286632 260228698 401237641 384240498 394026265 189962707 346919994 347819428 406254508 358615428 166379680 104543860 240848363 202109893 319180534 265951709 326122782 201335993 275734700 144416656 206793561 PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLASMENYLETHANOLAMINE 59852160 58017683 42177049 85718371 78482989 71812364 70307765 81264448 58443753 65317066 56223373 42786300 55618024 57623806 85765141 37633638 52903930 50963562 50350606 41476134 73459648 70541521 67897721 47164733 42541931 61951403 56277804 81037661 67031447 70200925 83755548 36591835 100252005 63210158 61812450 67108240 56097841 71628604 69240121 63472194 PALMITOYLGLYCEROPHOSPHOINOSITOL LPI 16:0 872114 1295531 1298256 1192713 1268054 1232618 930336 1086140 1267705 1089344 761023 1292857 1011052 1129470 1632172 982764 1062215 1291591 935571 1524867 1908643 1421961 1365180 789005 1910574 1051670 1870059 1123058 1906253 1530957 1090599 1202120 1167976 1749630 1625478 1848157 2430186 1429757 PANTOATE (R)-Pantoic acid 116303 86066 22343 23776 78287 81900 20038 22084 65861 30889 23610 48356 47393 87470 213847 122186 104878 130052 132631 178671 135818 180157 208535 217781 189815 189462 103620 195750 219062 235081 187401 81364 PENTITOL Arabitol 137039 184121 211051 122114 124398 129482 134872 139206 157310 126623 114428 197647 151548 128137 171559 142430 114273 101727 56605 127975 113655 126642 157913 148761 145234 112730 140178 195311 127341 171363 138399 130171 119885 144306 119580 249898 PHENYLACETATE Phenyl acetate 992878 673373 786195 557104 663444 975430 904853 931986 802720 521405 857705 571410 651101 479589 857361 644412 552406 616844 621224 698354 804923 1088360 949962 691173 873668 876028 715380 905009 924024 836401 730307 945302 886694 887294 640465 850904 590846 545172 681530 822634 PHENYLPYRUVATE Phenylpyruvic acid 24838 42522 70938 PHOSPHOCREATINE Phosphocreatine 12004 12775 17659 PHOSPHO(ENOL)PYRUVIC ACID Phosphoenolpyruvic acid 77965 13610 39300 35578 51703 PHTHALATE Phthalic acid 64292 36184 48760 107125 153911 162103 130552 124952 140606 176313 142994 136064 PREGN STEROID MONOSULFATE Pregnenolone sulfate 85892 82597 109170 36411 19974 21342 22846 10089 PROGESTERONE Progesterone 116494 84290 PROSTAGLANDIN E1 PGE1 482303 721248 110784 902160 1373140 1255217 975266 978245 1143641 1339880 62588 229685 1809291 462119 1199451 1279867 648631 238026 350086 1543110 1665356 1147947 719031 1546621 966803 1168433 649814 507367 638988 1218370 647441 1324333 PROSTAGLANDIN G2 PGG2 161166 178719 131552 171776 198572 441269 97399 86166 117045 84839 169987 118575 45021 98004 43354 205368 PYRIDINE-2_3-DICARBOXYLATE Quinolinic acid 1123988 625960 1515118 607789 1179918 1322837 1598944 1782261 1957051 2283585 922743 926229 2410878 2306364 PYRIDOXAL Pyridoxal 23233 14433 PYRIDOXINE Pyridoxine 16179 24927 48649 33692 24885 27134 23937 24355 31731 130499 40149 31658 31859 31605 34484 20405 26543 45060 52907 57241 28944 53851 46130 47786 57966 62581 26728 PYRUVATE Pyruvic acid 224373 35922 69685 63113 218009 210727 62501 167195 66343 230417 242431 48694 77247 155426 67204 156565 145473 205180 44350 370394 79227 65419 256235 63088 161819 248558 202393 61243 190700 435098 86080 353435 307425 89435 327875 56586 RIBOFLAVIN Riboflavin 68677 63863 105373 37870 66795 38781 ROSMARINIC ACID Rosmarinic acid 20265 24184 15079 65710 98087 23923 70715 23102 SALICYLIC ACID Salicylic acid 72232 122984 350857 309245 SALICYLURIC GLUCURONIDE Salicyluric glucuronide 62375 25054 52006 27421 30047 24807 42126 58912 S-CARBOXYMETHYL-L-CYSTEINE S-Carboxymethyl-cysteine 12783 50846 (S)-DIHYDROOROTATE 4,5-Dihydroorotic acid 20370 287600 17027 SERINE Serine 156142 233908 187933 230221 312145 285347 227730 237943 300612 201886 218790 261736 168155 208917 180419 194096 158940 187060 193127 192952 197887 332196 380021 246103 209278 191252 204519 241843 254469 167642 262064 273677 321704 348090 213185 327813 265663 318727 199564 193950 S-HEXYL-GLUTATHIONE S-Hexyl-glutathione 40880 61435 34911 42834 35925 41098 28739 39456 27798 33801 34730 38180 54376 84855 58550 67867 20528 72561 (S)-LACTATE Lactic acid 4702771 4671008 5446027 4489158 3324781 2852459 3172429 3028030 2854321 3348443 3014275 3511190 2452000 2459212 2256513 5038589 3083628 2625161 2377119 2848176 2726815 5324959 4640272 5169139 3511519 4659049 2796257 3224685 3186019 3350309 6298482 2802124 6543090 5118034 2360228 5843282 5539618 6284347 4340768 2762096 SPHINGOSINE 1-PHOSPHATE Sphingosine 1-phosphate 1806739 2856400 2417127 3355971 3066032 3662979 2498407 1555038 1772357 2543307 1913369 3177905 2618384 2698793 1868205 2457010 3049895 2427722 2894913 2866179 3859674 1486095 1745103 1353726 2281150 2876987 3679800 2936889 1849132 2188302 3077999 3765868 3198531 1708955 4368001 3590180 3004584 STACHYOSE Stachyose 38061 29612 41037 56058 41122 37725 37052 44898 57104 30511 45022 35840 50055 31378 30210 44177 60995 48664 62701 48940 42295 86634 76878 83200 52778 45180 88032 47173 46314 89654 65659 56406 54263 82315 123889 STEARIDONATE Stearidonic acid 750679 1318206 721999 848310 1309036 1307287 1313556 667154 1137060 735363 1434175 1195861 1236050 738926 587727 882276 1538860 1281845 1267438 824492 687935 503448 1288781 518230 1173859 1062427 944205 1456192 542007 694310 2058788 863697 STEAROYLGLYCEROPHOSPHOETHANOLAMINE LPE 18:0 3221633 3493078.5000 2958592.5000 4930814 45820506 4261506 4167650.5000 3816750 3367518.5000 4097773 3275528 2660915.5000 28405674.5000 4225479.5000 5511949 2564814 3044349 3172159.5000 2982576 3097781 4062434.5000 4518042 3365226.5000 2063219.5000 2023836.5000 2821981.5000 24602908.5000 3609986.5000 3300795 3339184 33810769 2402980 5932363 3359327 3091433 3704514.5000 3274694.5000 3733164 3148096.5000 27996327 TAURINE Taurine 2058442 1926179 1268564 2946087 3210755 2520750 2784489 2590214 2894578 1929360 2207244 1807550 2087811 2148811 1548517 1754677 1612992 1675243 2036351 1882873 1955357 2501372 1435447 1321842 1541602 1552300 1987232 2516430 2497525 2021451 2885762 3191063 2899946 1384403 1783542 1929254 2620879 2260984 2125434 2123980 TAUROCHENODEOXYCHOLATE Taurochenodeoxycholic acid 4109917 6294031 2494535 8271222 38838425 6997101 13997253 8308429 4888879 3305767 11942317 22725906 4072810 3648694 5959569 4060246 5827912 4296171 8959270 13837868 7622367 9177746 9012063 4770258 8485760 9987110 11414749 11573831 11830800 14754062 20701493 15115963 11504234 16919834 4745723 4767244 9719928 10321295 7233686 5769192 TAUROCHOLATE Taurocholic acid 3154044 19864941 1874454 14028441 20777876 15748773 28103408 16686904 9655139 2920381 29363026 88532987 1730240 1702071 13601060 6961873 3977132 2184755 12641716 30951204 9174985 5031151 7889134 3013565 9998867 12423391 12031837 14500499 16673495 7100833 15735417 44567288 5456987 22954244 2829217 3097839 3990920 4643433 3610006 6806764 TAUROLITHOCHOLATE Taurolithocholic acid 248901 128016 159028 523401 136299 385199 147394 200127 161248 247024 233592 169265 82850 237238 TESTOSTERONE Testosterone 125231 100812 237901 74786 173835 111780 225324 62539 187526 293514 462434 287947 106527 90126 145891 204580 187385 68635 44282 286474 353643 72097 THIOPURINE S-METHYLETHER 6-Methylthiopurine 24923 28713 21189 26464 24621 13886 35259 15756 44009 35995 THREONATE Threonic acid 39634 33067 52326 50822 45402 49195 24146 74683 52944 42235 29952 61576 41394 41416 52967 43877 70193 20867 30538 THYMIDINE Thymidine 350511 249562 331730 373818 292505 299573 170192 259635 326227 340965 294149 365333 313550 310395 306848 397146 326459 290693 284772 311517 362672 185099 109132 252218 277413 367330 16523 228277 THYROTROPIN RELEASING HORMONE Thyrotropin releasing hormone 42227 35828 56861 54729 44483 52644 54523 45333 53075 32041 50697 47143 55985 43394 44988 43235 50437 56887 44462 32336 38051 30966 30126 38329 37274 25226 25547 52724 22687 35528 THYROXINE Thyroxine 172247 182334 139885 194328 162719 205216 229296 139586 215227 112352 154804 177308 117014 183507 150364 183414 197811 195841 136069 115885 229048 165141 206360 166053 152756 212169 165018 181212 186014 147659 180268 115253 149046 TRIDECANOIC ACID Tridecylic acid 128436 229555 152274 185419 13119 215886 194672 211119 168207 251742 174034 13761 179364 197924 163473 104019 237054 147651 161482 258558 171580 180219 121311 187943 101153 173293 175880 217546 185540 171635 175647 111759 180621 182617 146129 95972 TRYPTOPHAN Tryptophan 48518439 33718173 43581663 43543826 40446130 39327078 43524794 41903512 37546963 42880279 40535906 41134306 36043550 33584332 44925151 38676324 66062113 64195134 51718182 38051006 61111222 28201752 50449930 47334270 50467811 65823586 40705050 79064846 57458846 34775192 67318604 40553856 URACIL Uracil 189368 178336 172028 234336 130362 118854 113566 113439 109624 29382 144172 395504 109647 75438 91859 225392 87945 136052 105686 101205 119208 376845 315367 25699 185004 221982 105825 113135 94503 100579 413871 73017 216578 257477 88315 230171 396225 315135 283917 108649 URATE Uric acid 5877838 6244784 5711724 6964081 4477638 5098157 5181305 5339566 4383668 4798658 5106797 11031820 4649550 5807319 4859005 6565796 4641904 4453234 2940623 4870799 4695173 8250205 12008243 6164184 6029392 7456328 4544129 4557486 4756968 4405690 10821025 6187761 6373067 7541991 4706603 6067733 7644436 7253549 5418198 5501998 URIDINE Uridine 416223 189613 3747668 199308 215179 135475 5052928 405214 215660 318391 393526 391995 310264 372683 382906 346708 518558 623363 366315 643423 183717 463440 340040 622560 UROCORTISONE Urocortisone 733266 419202 769311 877374 866153 871022 1148046 610849 674607 611427 390934 709206 705641 796909 433944 536930 611277 615332 757073 683033 525573 415488 404120 391320 365570 439759 684824 662030 768167 597243 508795 403929 627341 539611 370071 688015 378022 URSODIOL Ursodeoxycholic acid 18627116 7527911 11288920 17427939 12680277 7972071 4889486 2633493 5618001 23619123 9555710 43342463 18797348 25755378 10251808 5335575 31790903 3051515 5691358 6701077 15997384 8448746 19639903 2123825 2123453 8154631 10615971 4770449 3116721 4851069 11833399 4279805 18823418 5448014 8106503 8302352 8247570 6863529 10168734 7947092 XANTHINE Xanthine 32783 13540 65513 36089 XANTHOSINE 5^-MONOPHOSPHATE XMP 18149 34849 31800 26833 12794 19393 XYLONATE Xylonic acid 25067 21749 15784 26061 10961 22110 21688