Metabolite_name RefMet_name 13765456 13779193 13765705 13779209 13765605 13765615 13765745 13779234 13765440 13765815 13765281 13765668 13779184 13765466 13765902 13765265 13765414 13765511 13765520 13765529 13765659 13765678 13765289 13765316 13765368 13765925 13765207 13765395 13765118 13765162 13765547 13765579 13774973 13779270 13765181 13765325 13765714 13765227 13765377 13765773 13765635 13765893 13765274 13765079 13765107 13765124 13765247 13765354 13765561 13765645 13765807 13779260 13765432 13765863 13779201 Factors - race:1 | diplotype:1 | ethnicity:1 | ever_smoked:1 | daily_dose:2 race:1 | diplotype:1 | ethnicity:1 | ever_smoked:1 | daily_dose:2 race:1 | diplotype:1 | ethnicity:2 | ever_smoked:1 | daily_dose:2 race:1 | diplotype:1 | ethnicity:2 | ever_smoked:1 | daily_dose:2 race:1 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:3 race:1 | diplotype:2 | ethnicity:1 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:3 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:4 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:4 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:3 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:3 race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:3 race:1 | diplotype:2 | ethnicity:- | ever_smoked:2 | daily_dose:3 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:1 | daily_dose:2 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:1 | daily_dose:4 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:3 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:3 race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:3 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:3 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:3 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:1 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:4 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:4 race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:4 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 1-Aminocyclopropanecarboxylic acid 3602880 3930503 2475147 2485179 2959118 3343148 2654258 3007762 2710489 3992643 3363592 3591967 2934479 2669999 2007649 2869127 2792389 3717868 3438725 3407571 3243213 2109852 3425983 3123059 3901312 3936188 2729776 3638491 3793387 2986113 3224935 1893934 3019143 3427421 3096221 3901859 3879035 3240286 3525319 2625028 2977452 1989815 4206777 3912377 3049539 3311360 2043280 3491955 3012779 3298685 3175240 3166732 2418954 3903488 3079367 2_6-Dimethylheptanoyl Carnitine CAR 7:0;2Me,6Me 401010 173586 417866 405317 736195 762663 644370 535663 445991 224055 373330 873477 448611 1383133 764868 279695 662056 1648937 360279 579965 265625 611503 298558 216056 2346480 352965 398785 315808 133893 392121 536982 288608 564455 452960 320843 262177 101892 203619 335070 329878 362179 262440 298999 150947 749319 189511 846891 557681 492364 149067 186813 206830 191852 203290 666631 2-hydroxyglutarate+Na 2-Hydroxyglutaric acid 72489 52179 57158 127705 68858 59240 30823 43154 71587 60771 51087 36099 42292 67897 27685 45208 57755 37341 106203 51900 31745 34133 42396 49768 48249 54388 95231 45634 33134 64278 41916 76707 44281 91753 63661 55485 46147 54255 39378 66957 45924 56253 83778 39991 44036 33128 75952 110727 79761 66851 59378 60996 55204 98651 60096 2-hydroxyglutarate-water_R1 211159 165338 162891 425139 209343 160628 102537 134467 215664 209279 135097 125942 102489 215561 92736 130758 161561 138813 329359 162381 112280 92247 130291 175630 156490 162157 260531 110113 98589 282827 121107 221478 140078 643911 209429 147126 159496 161686 128980 229184 143716 177604 237214 368486 151167 113004 269688 368807 250602 298212 202379 230918 179245 309680 197630 2-hydroxyglutarate-water_R2 96418 86203 67941 223767 70027 77236 64252 85256 94611 110851 100808 111468 83528 305637 92736 84485 106500 109777 93087 68202 91702 78725 76214 155345 75496 80377 135456 81741 98589 294894 72705 103420 78185 116336 214176 51542 64157 124526 97229 102947 76927 87375 118859 384108 65619 61913 78755 79067 256593 87454 95510 83223 155569 120267 110861 2-Hydroxyphenylalanine 2-Hydroxy-L-Phenylalanine 215000000 311000000 150000000 218000000 146000000 193000000 188000000 216000000 228000000 123000000 168000000 186000000 205000000 294000000 137000000 367000000 178000000 240000000 209000000 156000000 110000000 145000000 154000000 200000000 208000000 253000000 190000000 175000000 151000000 175000000 186000000 129000000 201000000 228000000 209000000 202000000 208000000 243000000 150000000 114000000 212000000 162000000 236000000 170000000 191000000 191000000 138000000 224000000 180000000 159000000 195000000 168000000 143000000 138000000 172000000 3-HYDROXYANTHRANILIC ACID 3-Hydroxyanthranilic acid 62461 46332 37993 136551 25694 55364 83352 31198 44687 54259 31331 66604 38213 90768 36204 30013 43704 102033 27901 51786 52214 41124 43628 58652 102771 60033 40544 33684 44798 64356 40942 44872 43502 42610 47428 45898 33726 80604 16918 33471 37143 106915 55108 44838 39629 24972 33478 27453 54569 57540 40406 43331 21264 31125 33081 3-METHOXYTYRAMINE 3-Methoxytyramine 80077 31870 39594 170544 23221 42935 47021 53029 53713 105514 147584 105935 85373 206565 30941 60363 88248 152680 24913 32103 77874 71385 27769 99091 39142 144651 39913 39977 540004 51961 101156 777335 45890 34548 43274 28952 33925 91413 36876 98830 46144 53509 86536 255595 34433 33706 22278 34906 34879 30880 56152 39771 35157 36795 92886 3-UREIDOPROPIONATE Ureidopropionic acid 447123 327009 448691 324810 283533 552834 395357 331117 302677 332802 378683 459867 434575 435422 445261 361393 427704 758131 334060 452103 311392 441532 434800 479695 471924 312091 367244 289924 287487 364567 473373 1015838 497449 498364 810179 427991 251062 642213 491728 317416 486302 512307 362000 235463 337956 348917 419318 395192 474950 525356 278842 451931 198216 326333 444309 4-AMINOBUTANOATE (GABA)_R1 gamma-Aminobutyric acid 43900000 31500000 30200000 45500000 29000000 21600000 34100000 44800000 35300000 47800000 33100000 58600000 39000000 33400000 25700000 28900000 36400000 45600000 21200000 35800000 17400000 33000000 22000000 41200000 37100000 28500000 32100000 39800000 35900000 20400000 57900000 29700000 22200000 18600000 37400000 47800000 31300000 34600000 17300000 11800000 24200000 23100000 39300000 69500000 49900000 26300000 41900000 44500000 39800000 33200000 41100000 28500000 19100000 10500000 28300000 4-AMINOBUTANOATE (GABA)_R2 gamma-Aminobutyric acid 3220654 4140685 3447340 1926742 2276194 2729321 3665718 2466279 2437811 4326344 2524176 4790534 2056236 3459194 4480551 3258076 2252804 3856208 1642137 2414318 1162375 3540313 1126799 2753642 2228922 3131150 2455177 1384878 2959862 1792605 3210332 4396457 1340248 1821212 2035213 4339076 981992 2358252 2325961 2235742 3110208 1336021 3391791 3861753 2367921 1219064 1513060 2341223 2341842 4093377 1291131 1190350 1266225 795579 5544180 4-HYDROXYPROLINE cis-4-Hydroxyproline 6909769 13100000 4440786 4991288 7124259 9224852 4219778 4924079 5409411 10900000 4331636 3661497 7300163 6907342 3081663 6961300 7187533 5975412 7502598 9999441 2716495 4069776 7940765 4624212 11000000 6139559 8623890 6412601 10400000 49000000 8781217 2985434 8389731 15000000 16600000 7473914 16300000 14900000 9578089 5156154 13100000 4543077 9561431 27300000 19100000 5486166 8194427 13200000 11000000 6738346 15400000 5214734 5495685 5274238 12900000 4-IMIDAZOLEACETIC ACID Imidazoleacetic acid 219400 255698 256858 382574 296806 362846 422629 196072 363576 365378 359289 369629 359770 630422 284660 286682 248730 527151 255624 328625 543093 357221 329146 455941 297211 289421 371755 326305 347600 513709 536066 286086 267116 465939 379257 250480 241110 408182 357711 509625 342617 307537 364647 287680 295090 370659 249913 374515 319617 368245 292812 366212 191107 425987 429645 5-AMINOLEVULINIC ACID 5-Amino-levulinic acid 566065 859446 558359 592192 562817 605289 799847 499442 689792 644308 542048 630998 462429 748472 464673 528952 522369 753925 472332 627020 527564 783138 567835 679038 658325 556984 690320 562749 641517 970056 684356 558938 793683 981248 688165 459580 719883 538988 475104 628945 673316 443409 846503 383698 597919 415498 637650 600279 738479 551681 582319 539611 299301 776204 594605 5-hydroxyindoleacetic acid 5-Hydroxyindoleacetic acid 1133904 1259511 1048237 1292641 1250827 1968374 2207674 857817 1408007 864459 821457 1271960 929469 1513932 1926271 1756489 1756367 1954653 1383182 1489616 1002897 1359586 1760576 1701942 1871951 1425160 1267284 1088269 799537 651220 1137024 839281 1005813 994640 1327784 1064801 1570607 1319373 680956 1368007 1197086 1171894 1205405 721150 1236008 985557 604633 1082637 1350948 1188065 778550 751460 840133 1187318 958726 5-HYDROXY-L-TRYPTOPHAN_R1 5-Hydroxy-tryptophan 969630 1735416 905765 1281468 1530061 1113010 468145 371442 1596577 1028041 693434 729165 345138 1337118 183287 1211142 611324 725269 2046507 780948 296670 820054 408707 742849 855867 680900 834610 633430 584735 1308458 598839 684894 743555 1243206 623884 228005 1112831 584928 520707 450863 839370 1472489 986382 968934 1333114 797734 1089549 2645938 1422579 1445442 704292 894889 154937 394774 600027 5-HYDROXY-L-TRYPTOPHAN_R2 5-Hydroxy-tryptophan 156827 1794272 259035 1269250 631669 1140556 285429 115605 284670 1065550 135888 481610 245091 1369067 185288 1228265 621149 741533 124624 794700 304628 821967 273948 340699 401861 412386 620116 677782 553806 1317428 612842 375788 394882 498112 283687 249851 1125144 324099 516471 196593 610683 185007 313737 1000171 1330450 807961 1119621 311709 964601 611036 176250 930775 264051 391737 227631 5-Hydroxymethyl-2-furaldehyde_R1 5-Hydroxymethyl-2-furancarboxaldehyde 15400000 6209481 5490725 5861879 6001769 6389577 5595499 7716384 4103918 6020194 5972085 4835603 5530898 5064988 5547244 4224822 6264815 4982769 5458972 5635933 5541954 4513113 3726611 8334212 6932032 5819639 5522242 5973773 5385470 6907862 6184172 5828992 8434148 6667454 14000000 5116241 5968269 7023770 6268112 9720053 5062247 7237929 5037519 33700000 4375987 4968392 5901070 5464660 7181068 7192664 12000000 6830186 10100000 9498214 5728044 5-Hydroxymethyl-2-furaldehyde_R2 5-Hydroxymethyl-2-furancarboxaldehyde 3983453 1546768 1405042 1305744 1716328 1849862 1309659 2652414 1082244 1233159 1367266 1113115 1515657 1080896 1938892 1072653 2578303 649224 4352718 1246421 1128990 976230 1078769 2403364 1995398 2200738 1240115 1802779 1473618 5457092 1440070 1337018 2693333 2484665 5090749 1286531 1913858 1542698 2472235 4881018 1828346 1576720 1413572 7808620 980241 1445048 2272064 1534642 1805704 3352311 3102301 2768907 3875659 3574268 1616383 5-Hydroxy-N-formylkynurenine 5-Hydroxy-N-formylkynurenine 160100 211880 103299 157735 110886 114099 164335 170710 178965 132378 119195 98898 185940 159312 122655 144790 135579 167825 166690 190248 102116 109103 126081 134943 115919 96469 135076 127397 87333 104350 155480 105706 86615 155093 126304 148373 99842 78125 121110 110575 93118 126171 131973 104123 91244 114877 101590 128387 97962 106663 130595 177322 154190 133223 219461 6C-SUGAR ALCOHOL 748487 1098185 1158923 706651 836483 915359 900726 1216843 2383767 472083 2317235 1214890 808728 2333397 1411430 923800 4295296 9077167 1996177 535217 4934701 5729349 689199 1429234 1073097 20400000 510195 1078872 483821 2174100 610053 3582087 7259339 779049 2935630 477885 997406 1221264 977660 4227330 3085611 883775 628636 973491 393461 516326 1293863 35300000 828953 1039010 1369215 1607899 1208358 1200977 3901961 Acyl-Carnitine(5-OH)_R1 CAR 5:0;OH 1223471 724697 1195008 1055787 756191 777489 687440 560229 924126 634083 404685 836173 383566 756621 601009 722049 483570 957599 1174045 1056969 516715 553880 511803 883091 1091501 982528 553499 615516 1026992 960696 685893 1313063 1139397 1261846 769603 1206144 758610 1388212 610215 847958 679382 558989 1187548 810598 867116 579013 1065161 1230880 1055462 1652974 547165 570403 884911 888900 731038 Acyl-Carnitine(5-OH)_R2 CAR 5:0;OH 1241943 744441 1241059 1038752 786707 787120 709509 43027 918738 642738 427299 825664 412645 757515 605847 714309 492190 946981 1223183 1065166 520736 579459 521646 880521 1136838 970446 563546 627614 1091049 954680 750335 1396572 1154078 1348966 797495 1264280 777121 1396456 622224 866290 716922 563162 1246913 48495 924339 622929 1078064 1214894 1070450 1653175 535455 576004 905317 897068 754516 ALANINE/SARCOSINE Alanine/Sarcosine 41600000 33600000 24200000 36500000 25900000 30800000 34100000 44700000 34600000 19300000 37100000 33100000 27200000 34000000 31400000 29400000 42000000 35400000 38600000 27000000 25100000 18500000 33200000 39200000 34700000 34100000 32900000 29600000 28100000 49000000 28600000 17500000 35400000 27700000 36500000 18900000 36400000 30300000 23500000 38600000 31500000 29300000 30500000 24800000 23300000 22900000 27600000 36200000 26800000 35900000 39700000 35600000 37900000 22900000 39400000 ALDO/KETO-HEXOSE_R1 Hexose 694000000 338000000 274000000 340000000 314000000 346000000 320000000 455000000 266000000 328000000 304000000 265000000 377000000 288000000 274000000 253000000 347000000 278000000 272000000 301000000 330000000 277000000 201000000 387000000 330000000 333000000 312000000 342000000 287000000 303000000 338000000 342000000 440000000 366000000 528000000 302000000 342000000 383000000 401000000 323000000 295000000 402000000 250000000 1280000000 283000000 336000000 271000000 274000000 353000000 311000000 589000000 337000000 454000000 490000000 364000000 ALDO/KETO-HEXOSE_R2 Hexose 2386184 1025163 799584 1012049 1194968 1011822 1140950 758832 489004 1334771 813130 557100 1344689 924492 764810 728242 240820 1009444 714795 836692 887109 638628 687653 1111090 659700 1119277 1239429 918624 786431 953288 878635 290492 1184098 1045442 1512935 177094 1142438 1212530 1371766 1251549 974820 1081277 734968 4759896 1013610 1230924 1180198 675489 1313188 860552 1664426 1213858 1360822 1698888 1219868 ALLANTOIN Allantoin 828531 2148484 970148 1616618 1414704 2194203 1631381 1260859 1699922 1073963 747808 1263405 1004622 3629975 1751353 2908519 1972457 1455906 1079855 1389655 1308885 1426814 1263249 2451918 1405854 1923992 1496751 1398637 1470649 2688199 1615109 1220117 2478739 2393555 1922773 1146018 1437500 1343538 736334 2308949 2045777 1497737 1052827 1417083 1068023 1081205 1075107 1743446 1202585 1975755 1912598 1465518 1018809 1426652 1276944 Allopurinol Allopurinol 78297 69000 127195 42474 195102 366415 49674 79679 95176 51425 89565 43087 45211 71098 31523 1169552 176669 48821 135007 658952 55763 82902 67724 120464 434703 179214 576746 117572 485185 7847280 93336 157796 414532 289158 211937 110568 449464 652811 105499 197965 169267 99830 99232 183597 820274 185308 117574 6095415 901825 480033 452105 166148 371793 178377 84355 ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE 1626852 1275596 992731 1674165 1132314 1099393 1121217 1614069 930017 1252751 1212496 823380 1370166 2515223 801050 890605 967870 2362765 925863 1036267 952633 870023 959067 1408504 1171943 1924212 980969 766861 1216685 1227272 975961 767299 1355187 835081 1043462 813652 909531 1085246 806638 949327 971372 785713 1257445 1922777 1035261 1011679 727483 893442 926653 1073341 1337227 774528 785041 907033 1139914 Anthranilate 2-Aminobenzoic acid 94434 146625 94119 114174 133171 120811 128566 129602 137084 149430 91992 110375 193118 156390 114684 169907 120248 174608 132939 108225 94159 123825 154333 127420 99863 100766 159597 125117 95844 106130 124757 108425 114269 144504 135612 147449 118280 177168 143766 106633 153484 160259 158919 144520 170443 210892 133140 110811 112815 135435 139715 140684 120692 114117 144875 ASPARTATE_R1 Aspartic acid 2691412 2755422 1321365 1994682 917203 629863 1849586 1858003 2159965 2133123 2263246 953408 1339212 1846296 1825102 1733143 1609023 2311602 2119484 1807655 1109791 919050 2087888 1124184 2253439 1991235 1293887 1849194 941744 1217950 1874476 1199444 1271751 1885478 2893417 843129 1208683 1127027 1872626 2230080 758438 1989461 2287293 1356356 905365 935004 936515 1317778 1092962 1172409 2992323 2120931 1836184 2373143 1360804 ASPARTATE_R2 Aspartic acid 446027 2701338 443161 2002324 438643 462617 557379 1883045 508064 2163443 480039 449593 1361279 596748 447772 1730482 1595285 2280058 2154239 1821478 407296 971557 492164 590199 2233453 465441 661539 503659 531634 541889 1928098 1228246 1306363 1932262 543651 876649 1215117 473548 1969337 591117 793495 2060939 610854 1394744 935146 982142 1045096 1327109 1065423 563515 562706 2129213 1870799 538271 1357443 BOC-D-Phenylalanine_R1 51400000 63400000 49600000 47400000 57300000 57500000 52100000 53200000 55500000 62700000 46800000 49600000 52500000 64900000 50600000 59500000 49600000 57600000 54300000 58800000 44400000 58200000 58100000 56900000 42800000 43900000 63800000 51400000 57100000 47100000 65900000 50100000 45600000 62900000 56900000 49600000 48600000 61400000 52600000 53500000 56200000 49900000 55500000 60200000 47800000 51800000 61800000 54000000 58900000 50400000 54100000 67800000 50200000 58200000 70400000 BOC-D-Phenylalanine_R2 112466 133730 126992 115844 121151 105201 115866 114392 108613 121282 114075 112160 145686 134083 125599 122888 121397 119464 123213 128860 103268 113294 121921 121519 99354 96399 117049 137543 114990 110030 145845 105557 108970 125411 130710 115773 113949 128250 117312 111390 135778 112847 128701 134888 102287 131092 128368 129045 134432 131872 116034 134917 114007 138834 148658 BOC-L-Tyrosine_R1 Tyrosine 89200000 98900000 83900000 83100000 88400000 98000000 86700000 92400000 92900000 97700000 83300000 81000000 82400000 105000000 89800000 98600000 91300000 98900000 91000000 97800000 81800000 92500000 96500000 92200000 80700000 74200000 107000000 89600000 99000000 84300000 104000000 91700000 84200000 101000000 100000000 81500000 87900000 99800000 92500000 89900000 86600000 86500000 94100000 96800000 85700000 92900000 106000000 92900000 99900000 88300000 92900000 103000000 83900000 96200000 108000000 BOC-L-Tyrosine_R2 Tyrosine 625790 747179 691431 714086 739115 794584 699997 686613 808629 757564 682330 680801 1153612 1006724 657912 858447 592105 771737 1185542 824270 749079 745851 888228 692230 662198 621900 931647 655695 734557 725473 793397 762389 784236 810350 1031930 509696 654717 939334 1361527 745575 956869 692009 777788 726844 1149230 1079550 1017033 837143 791423 643064 703143 880559 626474 822485 565413 BUTYROBETAINE 3-Dehydroxycarnitine 58900000 56300000 63600000 60900000 58500000 43900000 90300000 38000000 73500000 51100000 67400000 71400000 51400000 73700000 81100000 40000000 59800000 77300000 47700000 66900000 47800000 48200000 49500000 72100000 68900000 60900000 71200000 49500000 51100000 60800000 73600000 62000000 45800000 60100000 51700000 60800000 63800000 69800000 58400000 55800000 53200000 45900000 82200000 52100000 52000000 39900000 53400000 61300000 73400000 67600000 48200000 51300000 51600000 50000000 63000000 C5-SUGAR ALCOHOL Dihydroxyquinoline 340147 364298 475891 605895 437651 603093 637141 569331 541343 388680 380598 467158 580217 635824 405305 587444 529809 633008 583752 403158 561210 401297 479249 658381 501990 848699 530851 478091 412141 496060 536754 538112 420420 417980 475707 391826 508896 660009 356625 604993 457344 577964 335853 315689 364741 346654 480107 534923 329940 598667 614912 389418 586193 435682 528716 CARNOSINE Carnosine 459605 421218 310916 315932 349249 371623 732065 512292 557362 387259 419695 446285 682286 2217504 633029 349063 462696 680281 434464 750530 682912 547901 961691 835589 397048 1527095 615872 668659 385935 926511 503206 466588 599764 794679 352916 454470 1764862 971159 443132 642099 541809 243665 1091793 921645 936090 595958 465407 394631 942840 559876 3503780 621634 402680 282414 1158603 Chenodeoxycholic Acid (CDCA)_R1 Chenodeoxycholic acid 202919 537232 42637 443483 200640 524597 215341 942373 512547 459516 182790 189248 495808 75906 150411 251210 1398266 193385 246007 756133 443200 620728 84622 552208 38619 383740 573010 1110921 48279 130768 155620 34235 370606 1552700 137147 170104 71470 368077 27742 1709493 255249 314591 138416 332939 220540 52002 46010 173913 80120 149192 597269 263023 2215124 511881 92191 Chenodeoxycholic Acid (CDCA)_R2 Chenodeoxycholic acid 205776 547503 42637 494502 206488 520603 273471 923684 96159 135088 189777 215759 410569 75906 41358 259742 1459931 85038 119784 390719 469287 642529 96849 176131 38619 129705 586092 620692 48279 73436 113545 34235 138773 1718416 311130 170949 71470 372298 27742 1690874 299209 328586 143106 327352 142696 52002 146377 109486 131620 66707 611298 277944 870679 710755 102079 Chenodeoxycholic Acid (CDCA)_R3 Chenodeoxycholic acid 28084 68080 50989 30241 61489 30028 132933 72218 65397 27332 28912 72389 8661 24882 33934 171225 33438 42316 115047 60177 101063 12077 78196 5510 55920 78689 80971 21422 25117 9145 58810 177200 37339 23978 6814 58856 197097 38363 54400 21229 45729 28922 13004 27754 10951 32638 83291 33914 81596 91737 19894 Chenodeoxycholyglycine (GCDCA)_R1 Glycochenodeoxycholic acid 1437589 1179552 93328 1059046 1685211 1774997 292467 1117631 2563762 732995 520771 838871 1151394 562176 4908165 3569548 4822958 844068 3466088 657139 748771 1809808 1142800 1106270 458474 2108739 497572 1390267 353570 10400000 2656323 291669 2801423 1141819 6768688 179032 298068 224554 1656006 2210245 3031171 836428 1140984 2633467 465254 481035 1255246 1350715 2460749 596646 1629686 2820985 999393 1209332 593014 Chenodeoxycholyglycine (GCDCA)_R2 Glycochenodeoxycholic acid 1514503 1172945 91487 1017731 1666588 1917518 292656 1067586 2623115 705179 539875 860833 1222287 557495 5153551 3621123 5006020 893593 3491434 643300 773413 1934206 1193603 1121838 443377 2205398 375705 1441104 361757 10800000 2640728 299738 2828082 1144131 6957829 157883 311810 191542 1853322 2341224 3187595 865940 1105779 2555359 477018 477993 1241173 1392736 2595799 593809 1627383 2741925 1038704 1254793 645333 Chenodeoxycholyglycine (GCDCA)_R3 Glycochenodeoxycholic acid 595230 1014447 95109 1654005 906393 1938472 112746 2234442 2898222 1097995 284665 608772 1089746 495399 5087606 2921936 5835857 621638 3299659 304789 953523 1902650 654278 1041570 109449 2481349 576002 1774513 407914 4117809 544802 173538 1401404 382743 7062274 240231 339882 547669 269672 813358 1740840 1102128 986763 3074542 251541 116460 1273924 406300 507563 375112 2592007 1514128 3298282 773933 603029 Chenodeoxycholyglycine (GCDCA)_R4 Glycochenodeoxycholic acid 624921 477093 46212 440848 722291 767451 127693 483901 1103375 328655 209539 364106 438826 216333 2148344 1460586 2094209 359537 1445450 267057 336793 778230 471741 451699 212019 892296 214301 573928 174433 4575563 1100136 124649 1196641 461521 2858328 83295 139600 97459 680522 939794 1194812 377146 464215 1069911 201879 193828 542578 582966 1056772 259101 690445 1150069 467670 580717 267306 Cholic Acid_R1 Cholic acid 71210 56323 62536 23407 62843 477015 113664 66750 39280 264663 12936 8380 94075 14304 32063 38867 79816 112181 44604 84574 21184 47945 52984 293659 176639 36949 39960 1696195 18361 157296 45637 11790 102652 1686654 109824 47834 25245 11601 38725 875953 50492 62307 48377 41833 137223 21490 74605 116048 150377 20760 73970 41008 1851234 638198 32967 Cholic Acid_R2 Cholic acid 70148 44037 59098 26030 51749 374291 85401 29299 36650 197103 10378 19352 77983 9024 28471 26365 67544 73967 34209 45623 10698 36027 41499 222822 178568 30320 31765 1397174 10363 151606 32484 7843 92724 1028756 90630 37824 18598 22592 748351 34191 47977 44363 31730 108068 11791 47893 100773 103096 9492 60517 29142 1737124 448777 13407 Choline Choline 183000000 154000000 129000000 164000000 143000000 135000000 149000000 120000000 128000000 131000000 125000000 121000000 121000000 116000000 138000000 135000000 156000000 156000000 127000000 131000000 149000000 117000000 109000000 132000000 151000000 185000000 108000000 134000000 127000000 184000000 129000000 142000000 174000000 124000000 134000000 150000000 137000000 159000000 93100000 170000000 120000000 169000000 148000000 103000000 122000000 98000000 88700000 155000000 120000000 154000000 135000000 127000000 137000000 148000000 146000000 CITRATE Citric acid 134501 120558 112594 141725 202153 194300 173838 154510 170391 159333 116790 213588 152000 124896 157488 123216 206974 185897 134830 147254 240397 191488 169105 158621 204689 147983 222300 205051 237493 322243 137881 165751 144712 184058 237457 141288 182339 193902 170200 197660 221485 231022 169598 180953 198288 163730 110839 174787 326249 150261 147369 130970 120873 145767 211864 Citrate+Na Citric acid 309195 366423 284503 347052 531319 538327 460124 422134 521089 563515 293396 551214 372809 463376 362162 409410 562075 559634 323889 462275 645683 599576 508373 488623 538248 391363 690714 540414 625775 800689 399930 429548 365538 602931 615507 331429 452930 655246 434112 483768 523919 562224 483502 537478 486396 375413 349130 474189 961226 383060 436631 438273 266190 490935 705942 Citrate+NH3 Citric acid 609464 523384 594747 757747 886025 907942 842388 735256 744303 667421 598530 1063321 769363 490402 764357 529029 1021909 776253 650765 644896 1223692 852871 685303 709963 1062553 738214 893021 974715 1094705 1684005 550724 864555 744304 741989 1098068 735379 966891 782103 858737 924646 1032167 1239717 754394 759698 952876 756240 464810 810546 1331096 753390 651537 455131 568863 625046 799350 Citrate source fragment (+H and + NH3) 363404 478976 331530 450656 668429 682264 556293 517681 655217 701941 389663 646434 452058 582016 463732 489970 652022 704248 398747 577390 825451 796694 639406 635835 655062 489688 872281 660723 761845 932561 530001 512807 435426 762104 685727 386417 557761 789723 560785 588170 617051 640269 613707 684761 604775 470777 429869 598514 1172773 430967 538105 550199 324644 621720 850081 Citrate source fragment (+NH3)_R1 174966 189786 154975 204871 286631 284868 221043 227384 265290 266978 145666 279850 175841 210125 205248 182318 296091 271606 153622 218679 359689 300285 264683 240168 287677 201303 325460 274796 319436 428946 185592 237025 192097 284427 298333 180193 242561 285621 220630 241556 273325 324982 240646 281621 252217 186231 160202 241262 480649 209493 208596 195326 145725 233822 282621 Citrate source fragment (+NH3)_R2 75111 98428 68613 83438 126989 143925 107100 108561 131021 138508 79024 125345 92634 115518 89624 103525 129402 139905 75678 119346 162620 150728 130291 126846 127391 103624 171611 135342 156412 174448 101102 100527 89680 147138 151071 85755 118710 154511 115545 112983 119338 130307 112878 137777 114744 94471 80899 120057 238390 82885 107681 114328 66614 113946 166335 CITRULLINE Citrulline 20800000 15900000 13200000 12500000 13200000 15100000 19000000 23500000 9774033 11300000 20800000 21900000 13100000 18800000 6808576 17100000 15200000 16700000 14900000 16300000 16900000 10200000 16900000 22000000 24200000 27500000 22000000 11300000 20200000 15900000 13400000 13600000 12600000 17700000 22000000 12900000 17200000 20000000 11300000 25600000 14700000 9310745 15600000 44200000 12500000 9255341 7046698 19900000 17200000 20300000 30100000 9945917 12300000 8009524 5373312 CREATINE Creatine 296000000 431000000 228000000 176000000 210000000 159000000 105000000 281000000 182000000 523000000 142000000 482000000 368000000 183000000 164000000 388000000 452000000 186000000 333000000 204000000 126000000 177000000 347000000 211000000 149000000 409000000 329000000 271000000 87100000 398000000 299000000 245000000 533000000 229000000 375000000 215000000 309000000 557000000 218000000 125000000 178000000 222000000 608000000 500000000 335000000 134000000 466000000 246000000 635000000 221000000 314000000 221000000 285000000 411000000 613000000 Creatine-D3 Creatine 53100000 51500000 46900000 42900000 52900000 52500000 56400000 40900000 50500000 45200000 52300000 43000000 39700000 49600000 47800000 45400000 45300000 44100000 44800000 50100000 50100000 47800000 50600000 50100000 51900000 47300000 44000000 52000000 58900000 46000000 51900000 51300000 45600000 49600000 51300000 47600000 50200000 39400000 51200000 50200000 47400000 46200000 44500000 45300000 43600000 50700000 47200000 46200000 47000000 47800000 43500000 54400000 47000000 51500000 40300000 CREATININE Creatinine 502000000 470000000 564000000 491000000 456000000 454000000 782000000 410000000 541000000 544000000 516000000 563000000 379000000 678000000 622000000 295000000 465000000 704000000 584000000 518000000 647000000 486000000 543000000 665000000 663000000 580000000 599000000 509000000 561000000 490000000 726000000 629000000 510000000 493000000 398000000 447000000 351000000 583000000 508000000 751000000 454000000 452000000 728000000 503000000 385000000 400000000 464000000 440000000 372000000 596000000 388000000 569000000 490000000 656000000 523000000 CYS-GLY Cys-Gly 12100000 10900000 7906372 8690542 12100000 8051802 8285623 6338270 7457816 6127084 6856111 5290135 10500000 10800000 8798909 7251258 3019144 6869770 7121461 10900000 8166924 6994660 5517465 7126168 8995491 7020248 8073901 4406168 6006223 7973923 6147534 6111560 7590477 8239393 7959853 5731679 7789142 8235284 5152684 4614236 5454347 6393623 7272438 5580501 8652203 7852292 7936620 13100000 5977069 8442635 6010109 8936284 7188654 9026881 3185519 CYTIDINE 2^_3^-CYCLIC MONO-PHOS-PHATE 2',3' cyclic CMP 496200 513917 1064491 633564 34441 29292 26470 55584 61882 120066 33839 16884 218572 46868 26243 102307 60516 44428 182908 179590 73497 47203 23126 59401 208737 272223 71890 31920 199266 17014 122134 44952 56788 25321 34784 57104 54026 21056 17728 63197 56927 35647 32112 29261 24439 43226 417586 59349 49716 35952 53182 48315 62707 82680 D-GLUCOSAMINE 6-PHOSPHATE Glucosamine 6-phosphate 376978 241616 220544 165161 261420 329408 222421 256803 282555 213630 248449 225626 202809 172595 287192 239205 272942 220776 238062 270520 254248 225513 153678 201446 239664 181797 185465 252370 225033 401684 197952 340829 376139 307541 640567 244147 269004 341187 260834 232158 247611 311064 192786 411216 274163 275732 190662 321981 59617 263153 250436 239466 300963 365558 234644 Dihydroxyquinoine Dihydroxyquinoline 71454 31450 356914 254914 146362 76470 149606 387222 65340 72558 106497 335398 72892 1359691 1610108 96505 45678 543263 617695 28586 993919 75210 119575 209201 74115 346927 37303 58630 228249 724552 58649 44997 258096 137239 1860910 121039 16343 699221 78620 34899 425649 68851 272597 180600 153467 102836 71921 124489 109444 65663 171839 168794 412756 664961 355686 Diphenylamine Diphenylamine 135020 114370 118740 85344 102523 128395 131358 132644 151675 181365 112943 95454 117253 159200 137783 147798 204251 95144 87731 177786 125947 179814 122668 143682 99619 130770 193848 139768 92537 127651 144917 101124 97132 122065 136303 136493 118846 128684 106946 126368 94290 106319 136345 125900 99485 102807 92715 141609 126425 100725 163807 183660 125073 130759 123708 D-Ribose Ribose 442853 202647 311155 885699 233583 403441 517288 393111 349350 233386 335300 369108 454205 885638 483817 418089 520032 1027099 541494 498642 469488 349894 591044 1339117 508038 972600 419122 308374 297535 494871 491879 315005 247008 554333 563875 247563 294947 590606 200456 673636 420036 365206 341106 572170 231597 194286 485054 415054 324131 333986 392166 390457 401710 390346 375503 Formyl-5-hydroxykynurenamine Formyl-5-hydroxykynurenamine 98897 116103 57998 79243 55663 52190 111376 86807 90388 71057 56135 50562 87437 81900 66411 74727 72037 78867 74834 78535 56000 56844 65185 62581 60318 57546 74000 63154 41550 57136 75255 48005 43784 83920 59607 70563 65958 73261 54593 57040 60040 55985 79527 48703 56340 49195 59971 65806 50446 46654 73026 88321 86444 53758 96510 Formylkynurenine N-Formyl-L-kynurenine 247985 385262 148762 276614 147422 165839 248648 263272 263227 173078 177335 151257 320333 251552 189936 174743 200238 254545 246427 273292 152522 162840 178114 194097 193886 165173 177241 171286 156073 156219 189796 146712 156071 288267 174185 165871 155789 163735 171833 166289 139080 179713 190088 145462 126066 133108 164968 190251 149589 147283 194524 250891 232380 166920 334755 GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE Gluconic acid/Gulonolactone 31100 14331 42479 59452 56405 51677 25853 27561 60038 22910 30590 59524 23851 21252 53437 93230 89659 21327 44425 45835 54906 60286 46924 82224 62676 68328 53907 62943 28640 63727 32156 47769 18879 34109 40859 60892 78855 60996 214877 42634 18126 17998 47897 64391 24194 73631 55227 53092 70004 GLUCOSAMINE/MANNOSAMINE 5809630 1829367 2723289 2331480 2083108 2184811 2129708 2537797 1159447 1521442 2414490 1688050 2401562 1055837 2025488 1131225 2215153 1307749 3370308 1721959 2145520 1205653 1060251 2018134 2689532 2333617 1234310 1786991 1929290 4740092 1662501 2372865 3107242 1604731 4138045 2309119 2161396 1800443 2554862 2989894 2138813 2956690 1503687 6949474 1906026 1993684 1490374 2000563 1861786 2492773 3164147 1443923 4197475 2106584 1360847 Glycerophosphocholine sn-Glycero-3-phosphocholine 38900000 26600000 22600000 29000000 16600000 10800000 7271062 12900000 11100000 14200000 12300000 4127217 11000000 12000000 4310783 14900000 16000000 9066016 30900000 14000000 5456642 4333010 3872002 13800000 12100000 17600000 6698605 7128605 2663835 16200000 5893080 8929795 17000000 11900000 12000000 9305535 8870214 8884915 6454144 15700000 6845521 14000000 10800000 14800000 8296774 4298157 14500000 19600000 7796073 17700000 14000000 15300000 17200000 13900000 9590310 GLYCINE Glycine 1028669 1149229 1507382 1285302 1660102 1762634 1468094 1040811 1647534 838556 1379090 2384495 1195045 1251614 1253792 1517291 1494389 1387720 1466434 1558005 2028441 1061593 1381168 1271346 1695978 2292337 3036051 2187952 1582440 2112271 1745286 2048581 1105163 1909592 1131816 1201848 1167237 1209760 1041108 1222049 1434928 1003178 1823955 1152366 1389032 1358110 1169293 1937925 1377859 1314435 1444604 1468834 1226000 784943 1768285 GLYCOCHOLATE Glycocholic acid 31640 45504 37609 107748 59482 7816 23350 51817 149526 102755 39402 35943 96781 47781 433173 106172 133467 44453 197712 60417 106002 108900 75379 73605 33054 103056 93199 364322 25354 137475 48796 33337 445223 78565 69203 59456 256765 29930 20742 74250 75430 64729 182995 115665 123682 58885 33715 126486 86813 84685 96673 162897 175924 88169 169899 Glycocholic Acid (GCA)_R1 Glycocholic acid 1573424 1425214 78515 1296123 546690 687142 108894 1448661 1077096 877263 208323 278464 704216 766198 4940983 2672712 3841537 629797 2999667 191158 502445 1771559 4938832 1025557 255516 995737 170200 1323861 70676 6247807 1071415 278653 3166631 280614 5250648 114127 94748 162541 1599422 1458677 997581 894693 1154615 2223027 476862 163900 615075 327293 1838682 532225 2625659 3248767 1162610 2332718 711536 Glycocholic Acid (GCA)_R2 Glycocholic acid 1669994 1468567 78515 1408046 122852 700500 108894 1452214 74523 936803 211055 288829 739901 770856 4851069 172324 3866926 655660 363925 211173 112578 1813773 5128138 1055926 257084 1064651 175406 90044 123030 461263 368331 309863 295588 126266 470545 114296 382582 187321 241008 103316 217171 909440 154155 2330081 134911 166654 212397 157161 240836 92247 2610370 293868 86538 165211 772127 Glycocholic Acid (GCA)_R3 Glycocholic acid 315718 287273 12591 265628 109268 139771 52850 307360 227225 198012 46791 155527 150933 169756 1005772 550383 775077 126236 587437 39802 115562 352786 956884 210873 56375 219800 97776 279646 26604 1276264 225403 75830 665930 64655 1054692 35377 73934 154668 302196 308779 204820 180722 263433 437221 110921 47937 115597 53657 359730 106518 535275 636008 325121 459087 149089 Glycocholic Acid (GCA)_R4 Glycocholic acid 221701 185231 27270 180586 82794 92279 36749 191315 155267 117258 34202 47669 99644 103823 667869 330967 503336 83554 361804 24460 78237 228553 618586 119231 44258 144042 35374 169678 11483 849682 140905 35978 443831 46413 622580 22755 45871 32473 190561 208503 128760 119688 148815 304998 67122 48840 69428 35474 244569 74029 332265 396097 177336 282770 85408 Glycocholic Acid (GCA)_R5 Glycocholic acid 238219 186045 8283 197790 86411 95014 10876 199082 137074 111258 30367 42275 112435 88799 677897 319395 556665 90798 406937 23524 82980 222779 607678 119862 47335 164890 28424 186923 8095 967706 117702 41709 478946 37180 618770 22996 33071 20990 216151 228194 132606 144996 142203 267421 81269 29535 70766 48584 242331 72081 355938 331317 184886 290219 88990 Glycocholic Acid (GCA)_R6 Glycocholic acid 167030 152301 5830 131016 63088 67333 10925 145188 99150 95714 23104 30124 95333 87072 479858 269327 371704 74310 339809 13897 55088 179628 445006 101541 27070 106461 13765 125385 12247 592536 103970 31807 338879 35903 559744 10060 46391 12428 179507 140088 94344 97490 113062 205701 63037 22477 64321 39239 162744 53575 258015 313958 116525 223312 96035 Glycocholic Acid (GCA)_R7 Glycocholic acid 67426 63648 64884 26841 36730 63849 39953 40004 12398 27686 31071 190320 87591 138241 29323 114534 23525 63735 161596 42993 11205 56158 75773 243418 46028 14474 128156 9135 162474 8267 57313 54537 36328 46685 54607 75769 23911 25900 10894 79942 24125 109501 116344 50243 79837 26666 Glycodeoxycholic acid (GDCA)_R1 Glycodeoxycholic acid 162051 262411 107432 362062 237391 1859514 296318 554376 648779 300855 515623 156775 237315 122868 1163408 717168 1383654 164993 3462943 664943 219289 481711 178472 1145153 465537 591456 492654 439767 357849 10900000 152455 63593 2807011 1149289 6825904 189228 305555 157919 1683849 197944 3238793 281694 1192623 865287 479618 526869 1350952 1454291 2472004 106563 1725944 428462 743840 1231099 158646 Glycodeoxycholic acid (GDCA)_R2 Glycodeoxycholic acid 232636 82296 11284 136611 80658 286721 47435 187340 247569 104634 82243 55725 211450 98223 408905 242485 452082 144141 301650 116393 133653 165309 174949 173116 81269 200042 62532 142079 59035 356102 436678 49899 124875 184293 1116027 27824 52467 60956 315123 381928 169008 90881 82230 282035 80718 92971 221031 217138 378183 107067 225093 130942 262850 190426 89192 Glycoursodeoxycholic acid (G-UDCA)_R1 Glycoursodeoxycholic acid 844435 1208284 300475 90079 173077 261797 246703 300702 1247506 192957 71909 358743 1007175 105826 6874700 1454748 427753 410162 733037 237886 1467416 663242 217319 675320 174658 1146677 99250 180322 460566 1705828 490685 187553 618126 171216 374158 75122 80034 60921 87216 713237 266460 345125 636962 239264 129941 58795 382514 170510 557546 179033 348569 786179 347277 1048630 81843 Glycoursodeoxycholic acid (G-UDCA)_R2 Glycoursodeoxycholic acid 801404 1060460 307432 76070 145389 223982 251073 295052 1081664 169408 58111 294450 877965 96962 6410898 1333831 409898 388730 621949 242196 1368521 595592 193486 606217 157884 1116938 60843 169448 407510 1585775 460594 166113 593156 140732 343857 48196 81820 42371 79897 644192 208446 315848 589615 194043 114533 44027 306273 152508 495504 165840 315934 719396 331878 911160 67149 Glycoursodeoxycholic acid (G-UDCA)_R3 Glycoursodeoxycholic acid 437173 553426 184912 45072 70854 118060 135651 154928 569231 105853 31947 136161 475396 50612 3334075 662465 208226 195258 356905 126060 733794 298206 124935 323357 90229 554712 37028 84631 239473 782713 225139 85440 318932 72253 177771 29359 52346 31757 40924 331892 108287 178242 326443 120888 61267 27032 170233 93282 268397 92337 163288 363484 165236 535387 35122 Glycoursodeoxycholic acid (G-UDCA)_R4 Glycoursodeoxycholic acid 46261 75369 19881 9598 21565 18541 9555 21159 69995 6715 9164 58860 316251 65983 25357 22660 40909 11149 64068 33373 8250 30188 9223 57852 21015 8505 24715 79546 37466 7700 36603 17415 23534 6967 42381 9141 20871 36248 24054 6674 22468 12079 26667 10013 11119 63886 20650 61402 29412 GUANIDINOACETATE Guanidoacetic acid 4964600 3362432 3427005 3849220 2896452 2307630 3446808 3685343 2228832 2012981 5079400 2005779 3783008 4606408 1845131 1695517 3062379 4070153 4515489 2404630 2696494 1804865 1996987 4248378 4032336 3371518 3819630 2834399 2905366 3879629 4322066 2561974 1848130 4407632 2646409 3214150 2924085 2622165 3002766 6229333 2708292 2617311 3579654 7864118 1658258 2895726 1643327 3094765 3299772 5665816 4090833 3518211 2940795 1763863 1768825 HEXOSE-DISACCHARIDE Hexose disaccharide 763493 990278 344719 625373 333662 363711 248040 572130 666553 469508 483870 670914 354611 322805 387294 438487 1063236 169215 592358 727834 139159 114980 104185 692438 1130284 485871 300139 198641 728312 1437858 164987 604484 315475 6292152 536353 220719 187397 272598 171147 1951356 329466 1002134 2506215 1905499 135039 392669 318886 495158 525897 7921250 983849 1006179 1242631 551467 1391428 HOMOCYSTEINE Homocysteine 3905342 5305654 4332522 11000000 9120140 9014287 6397837 10800000 5006364 3220219 4688126 7592899 4403981 5667730 8176468 4767482 5613016 10200000 4227445 4949019 6552229 2938703 6034651 4882079 4607196 9617253 10100000 3953713 5598157 3898331 4352728 5166911 3378728 3626955 3415968 7914572 4456067 4860909 4342095 3961808 3964002 11000000 3656758 8643284 5885296 3378311 3805014 5618229 3588004 5136249 4890483 4395892 3865882 4869962 5775790 Hydroxyhippuric acid Hydroxyhippuric acid 183363 113154 1017318 727020 504827 265163 507074 1174221 198623 243713 339891 1009672 181325 2753365 2693588 327921 124032 1499665 1568738 87694 1702890 243169 440450 695131 258756 927723 84987 179977 706525 1711220 237709 115455 811074 547930 2894410 376969 36493 1826592 291702 111042 1139597 164244 888848 637479 488659 317364 248784 448696 392676 241146 533706 636081 1169386 1809411 1030091 Isobutyrylcarnitine CAR 3:0;2Me 13100000 3984801 5201061 17200000 9043000 6561636 8456427 11300000 14100000 13200000 11200000 10500000 8040695 12600000 14100000 8426282 12800000 7927743 7413405 6698950 5396100 18600000 3537406 8719017 7931080 9884247 6627721 6603651 3280907 8258275 6257726 7525491 11200000 7609985 10300000 6077585 9909696 21500000 3477408 4242994 7189853 8332729 14600000 10300000 4853963 3288144 6774764 4928422 13300000 9279528 10500000 5225171 11000000 3436658 8710530 Isovalerylcarnitine_R1 CAR 4:0;3Me 4096140 5701058 2670331 5915802 4295401 3478923 4800646 7223602 8390038 2236217 3262822 7141769 5128070 9092247 7062095 6335142 4975063 5036339 2100389 4185515 1522184 4776311 1088338 8002466 5501097 8607071 3206833 3065077 1483038 4383952 4241047 3507263 9627152 3420966 3986470 4149277 2094334 11100000 2274085 4014235 3051242 5588072 6509692 7664971 6646276 3062054 7821004 4218481 6812851 4393942 4801725 2097076 4389340 2715929 3591270 Isovalerylcarnitine_R2 CAR 4:0;3Me 1900800 2133756 1667947 2330148 1957510 1649905 2246540 3024873 2619331 1309681 1534283 3207551 1603426 3335717 4575714 2319329 2181328 2464821 1888323 2184628 1169622 2284715 1423322 2370140 2301261 2664087 1075765 1669937 1193918 1258742 1892186 1671070 2968505 1671489 2240823 2276972 1294554 3414965 1002850 1295192 1212017 2076956 2400821 3357194 1668192 1235741 2186195 1943539 2453268 1535398 2257084 857903 1717849 1115648 2021104 Kynurenic Acid Kynurenic acid 259737 244030 311944 381902 157726 240946 546507 168070 409969 202085 340287 342779 243289 588881 329951 336249 211800 496314 253039 378393 200878 457420 361191 585717 327915 367255 373299 165959 173193 88615 221208 280291 237144 388127 258891 252083 206322 501619 119610 115049 275892 164413 299401 302885 351105 193798 189038 256752 458834 203454 271026 200526 144679 193866 395104 Lactose Lactose 796007 303910 193633 278058 247764 314667 192809 324728 167040 203032 211782 165418 250959 212496 168875 158184 239634 193089 191400 221467 211451 175991 101331 262074 182019 190066 204573 220309 253819 161875 266789 216630 274415 182940 446117 178597 259479 259345 271875 220649 192009 279074 129622 1275249 237787 200085 229672 300997 229309 316679 528979 231881 383542 311569 331427 Lactose+K Lactose 225040 202499 79717 123799 62451 75497 44311 148194 132918 78700 111097 87022 58227 65198 68288 80760 138112 53212 105198 82760 47243 22367 206358 86120 95160 82021 77260 110304 106279 182658 19081 75880 68675 129427 149321 57154 25780 119318 50475 291600 70181 183236 498942 367323 38730 11724 62373 91313 67905 845807 133698 107490 129425 155390 270909 L-ALLOTHREONINE_R1 Allothreonine 2003363 4077684 2357187 2407974 2688770 3362116 2640407 3020466 3235943 3853616 3243119 4741967 3206751 3028524 2119191 3594906 2956431 3893106 4206892 3715907 3634263 2822914 4772025 3480983 3851295 4039599 3143645 4236339 4002580 3249402 3270678 1874945 2633126 3447923 3044531 4500871 4594980 3326898 3542800 2751128 3796233 1923598 4347798 1406734 4086113 3995429 2532017 3224548 3211656 3195067 2402766 3464397 2060925 3883897 3560972 L-ALLOTHREONINE_R2 Allothreonine 102949 108700 132345 236770 123823 112953 40291 113673 580984 173748 202322 313901 97782 117802 108040 159087 212721 182165 86274 115838 182390 314568 179933 180137 180196 272380 252646 165155 783286 560797 172503 220723 222414 198512 134823 806635 67821 248647 217648 185767 227754 219391 127424 316314 311884 141245 755414 525638 412278 826900 148171 105472 186759 194058 248977 L-ANSERINE Anserine 232465 271027 284164 239814 304755 448553 717167 148844 272018 267102 332524 336737 311133 1169316 7283766 309617 288935 384018 193594 435298 439227 168327 368788 317763 606716 1798632 270033 485224 328467 1064221 497689 123516 622452 241442 452299 415497 407570 238941 411439 604572 373686 253843 637145 313112 663582 232651 208431 363039 267879 386432 214244 283581 229311 3901440 406613 L-ARGININE Arginine 30500000 41900000 34200000 34100000 31300000 39500000 34900000 28900000 34300000 24800000 51400000 40300000 46300000 43300000 20000000 50700000 32900000 45300000 38900000 32200000 28700000 24900000 35900000 42200000 56100000 52400000 44200000 36100000 32700000 48500000 47200000 24400000 41700000 45000000 25500000 40800000 48600000 32800000 38200000 41200000 43700000 36000000 43800000 28000000 31300000 34800000 24800000 42500000 26800000 33000000 43400000 35200000 25600000 21500000 32100000 L-ASPARAGINE Asparagine 1750075 2102210 1825688 1983748 1839229 2159756 1805160 1388765 2300117 2047066 1793735 2454339 1792837 3090928 1908805 2923793 1731120 2868028 2055271 2133873 2524142 2077738 1258265 2254580 2460871 2314423 2323583 2080274 1845527 2262162 2495480 1238290 1861561 2042238 2227578 1776878 1707818 2203127 1753165 1759926 2602851 2338416 2470628 2229923 2097421 1783934 1955561 3735020 2531086 1757499 2368201 2622180 1237115 1882659 1746898 L-CARNITINE Carnitine 394000000 400000000 436000000 490000000 476000000 443000000 517000000 410000000 547000000 329000000 520000000 729000000 411000000 588000000 587000000 532000000 624000000 477000000 445000000 538000000 329000000 402000000 377000000 475000000 543000000 515000000 398000000 506000000 344000000 569000000 628000000 389000000 529000000 529000000 488000000 523000000 537000000 625000000 321000000 398000000 446000000 435000000 527000000 509000000 357000000 307000000 583000000 512000000 481000000 595000000 425000000 510000000 460000000 400000000 476000000 L-CYSTEINE Cysteine 19800000 11100000 16800000 18500000 14600000 11700000 14400000 16800000 9549615 9868830 15300000 16500000 7068458 9648755 12800000 9288820 12800000 12000000 3618156 10400000 14400000 9444212 10600000 13600000 14400000 18200000 10300000 10600000 11400000 14900000 12400000 18300000 16900000 9608079 6756501 18200000 17500000 13600000 5669976 7249380 6354574 18300000 13300000 19600000 5668877 5898597 7005881 14300000 7894001 14500000 14500000 9635842 17200000 11300000 9853150 Leu Pro Leu-Pro 438601 369146 363214 496517 316072 302185 138983 159206 299342 297611 247342 105231 152026 206937 76885 495609 283309 129305 613992 200449 65648 134610 86469 294222 189904 341520 90031 142102 113659 248871 119557 134569 239469 161862 102342 136583 167552 153109 122877 119910 236343 249818 169711 187410 148281 74529 154676 996865 309126 216726 207759 283691 280910 156958 479391 L-GLUTAMINE Glutamine 205000000 153000000 153000000 160000000 191000000 191000000 159000000 152000000 164000000 142000000 173000000 174000000 159000000 153000000 145000000 183000000 170000000 181000000 167000000 177000000 149000000 127000000 159000000 164000000 197000000 173000000 166000000 156000000 191000000 166000000 178000000 139000000 151000000 169000000 161000000 166000000 182000000 145000000 150000000 185000000 175000000 145000000 160000000 293000000 162000000 158000000 136000000 210000000 167000000 176000000 169000000 189000000 138000000 146000000 163000000 L-HISTIDINE Histidine 74500000 61400000 73600000 66200000 83000000 89500000 57300000 88600000 80500000 74000000 59200000 59700000 93700000 63400000 62300000 85100000 83800000 60900000 66300000 71000000 65400000 57900000 31900000 59100000 66400000 63200000 55200000 72700000 64100000 104000000 64900000 50500000 95700000 84300000 51400000 72400000 70900000 55100000 65200000 55700000 69200000 74100000 81800000 32900000 49600000 56800000 71900000 91300000 59400000 63500000 39600000 85200000 62800000 59900000 59500000 L-HOMOCYSTEINE THIOLACTONE L-Homocysteine thiolactone 27210 271911 73447 147436 205794 160945 84394 181931 272726 50052 122343 175911 41536 286656 281795 289783 185802 153161 234090 23722 204618 198395 16687 266263 36160 132452 154732 231566 272589 30848 26748 198223 162317 298307 196108 142887 101575 175982 25275 53958 436668 173810 171936 73199 88055 20034 178918 239013 9052 39605 23662 227460 L-Isoleucine Isoleucine 560000000 634000000 356000000 581000000 515000000 421000000 468000000 569000000 489000000 490000000 442000000 463000000 477000000 827000000 507000000 825000000 369000000 753000000 476000000 414000000 342000000 484000000 343000000 532000000 479000000 822000000 392000000 367000000 402000000 465000000 579000000 339000000 529000000 472000000 423000000 427000000 526000000 532000000 392000000 364000000 378000000 372000000 683000000 769000000 497000000 352000000 279000000 671000000 451000000 357000000 661000000 495000000 319000000 275000000 414000000 L-KYNURENINE Kynurenine 10600000 12400000 9753325 12600000 12300000 19000000 19700000 8302541 14200000 8038928 8003331 12000000 9103109 15100000 17600000 16700000 16200000 18900000 14000000 14600000 9350972 13300000 17200000 16400000 17900000 13300000 12200000 10300000 7240616 5996017 11000000 7880323 9381510 9643880 13200000 10000000 14700000 13300000 6965943 13000000 11800000 11300000 10800000 7153829 12400000 10300000 6092512 10500000 13400000 11500000 7379370 7649693 7855321 11500000 9737641 L-(+)-Lactic Acid Lactic acid 369947 190855 175438 188586 207382 195427 147954 219711 236914 165530 165560 137317 124543 141285 166290 209773 264950 177074 175388 219065 158072 171189 156730 175535 218927 254395 186515 240723 151977 236285 221916 172946 223725 198291 226555 158561 191855 165688 164323 360693 195938 189581 120433 842257 150072 159520 168966 264767 203254 192225 285852 195810 244007 206902 204788 L-LEUCINE Leucine 817000000 942000000 582000000 865000000 765000000 723000000 722000000 794000000 740000000 739000000 640000000 737000000 761000000 1050000000 710000000 1150000000 610000000 1040000000 706000000 705000000 576000000 711000000 465000000 823000000 768000000 1020000000 673000000 515000000 638000000 719000000 871000000 516000000 793000000 746000000 691000000 649000000 774000000 853000000 614000000 540000000 628000000 550000000 958000000 1030000000 743000000 619000000 519000000 924000000 704000000 602000000 830000000 773000000 496000000 494000000 668000000 L-Leucine 13C6 Leucine 36900000 36300000 41900000 35000000 37500000 39100000 40200000 37200000 38200000 39800000 40000000 36900000 30200000 30000000 39000000 27200000 42900000 29700000 32600000 39000000 45500000 39200000 45100000 38300000 37500000 32600000 44200000 43800000 41100000 38500000 36400000 44900000 36100000 38600000 35700000 40700000 38300000 34200000 33300000 43600000 35200000 44000000 34400000 31500000 32900000 34600000 42300000 33000000 39800000 42000000 36100000 36800000 41900000 47000000 39500000 L-Leucine-D10 Leucine 59400000 64200000 55700000 58300000 58700000 59700000 58800000 60400000 61600000 64100000 55200000 57800000 54300000 63400000 58000000 58100000 57900000 59300000 54100000 59600000 56600000 61800000 56800000 62400000 57200000 58700000 64200000 57000000 57300000 56000000 64500000 57000000 56500000 61200000 59400000 57200000 58100000 60100000 52700000 55800000 56300000 55400000 58700000 59100000 54700000 54800000 58700000 59600000 61000000 55900000 59700000 63400000 51700000 59600000 60300000 L-LYSINE Lysine 4256526 8561092 1999652 8069427 2377298 2305782 9056848 3314480 7869605 8236862 6596813 6319105 8563647 7340586 9560653 5862176 8623335 9590582 7437875 3733852 7779179 6364201 5833924 5851011 8765526 6589949 6632549 8060760 19900000 13000000 7739070 1887743 23300000 7412365 6727545 5549215 9090509 4073461 3118327 2706763 7531998 3185061 7537630 5790218 16100000 12900000 4265614 5670720 5177029 2919113 3215563 3714608 2182431 5955049 8376473 L-Phenylalanine 13C6 Phenylalanine 33900000 35300000 31800000 30700000 32700000 32400000 34800000 32800000 34100000 35500000 32300000 32300000 32900000 34600000 32400000 31200000 34500000 33000000 32300000 34100000 32600000 35900000 35800000 34600000 31500000 30300000 37200000 33300000 35500000 32000000 35700000 33200000 30500000 35700000 33900000 32300000 33200000 31700000 34800000 35500000 33600000 33600000 32700000 35400000 33300000 34400000 35800000 33700000 36800000 35100000 33900000 35300000 33000000 38400000 38700000 L-PROLINE Proline 1440000000 1800000000 1140000000 1480000000 1110000000 1380000000 1310000000 1730000000 1420000000 752000000 1080000000 1330000000 1160000000 1210000000 1160000000 2060000000 1460000000 1270000000 1950000000 1120000000 923000000 1600000000 909000000 1430000000 1300000000 1470000000 952000000 1090000000 1130000000 1880000000 1150000000 657000000 1450000000 1200000000 1550000000 890000000 1280000000 1410000000 969000000 1170000000 1400000000 1000000000 1400000000 1230000000 972000000 932000000 1040000000 1580000000 1200000000 1220000000 1260000000 961000000 1190000000 830000000 1380000000 L-SERINE Serine 1204536 1792480 1719632 1424301 1868208 2183427 1231993 1002728 1587845 2016761 1814909 2760406 1703605 1228951 1314823 2361318 1464708 1932866 1329729 1801089 1523245 1388394 1249070 1839677 1451121 2025734 1884419 2058093 1831913 2551088 1980411 1479026 1549672 1596416 1374114 2308887 1710070 1238754 1271080 1390326 1693602 1300859 2367028 1986229 1611119 1527167 1735754 2512125 2049954 1263668 1833909 1559717 1191522 951050 2025710 L-VALINE/5-AMINOPENTANOATE/L-NORVALINE 171000000 197000000 345000000 355000000 248000000 374000000 372000000 236000000 266000000 192000000 339000000 455000000 359000000 265000000 285000000 363000000 341000000 457000000 203000000 325000000 195000000 194000000 248000000 423000000 341000000 304000000 260000000 261000000 345000000 490000000 394000000 243000000 365000000 335000000 421000000 430000000 302000000 240000000 127000000 396000000 372000000 420000000 302000000 318000000 253000000 278000000 281000000 299000000 322000000 287000000 319000000 284000000 242000000 140000000 272000000 LysoPC (16:0)_R1 LPC 16:0 24800000 14100000 15400000 20500000 25900000 52800000 33900000 19900000 21500000 8993586 19900000 21200000 21500000 19700000 26100000 41600000 65300000 15500000 29100000 63200000 13500000 25600000 19600000 37900000 15200000 31800000 48900000 15300000 27000000 66000000 24200000 5365718 34500000 39700000 39000000 5816200 20500000 10100000 5184054 13100000 37800000 8829614 8312007 23000000 21100000 22900000 31800000 32500000 28000000 19500000 33600000 35200000 18800000 15800000 14300000 LysoPC (16:0)_R2 LPC 16:0 3547625 1538215 2080172 3051601 3519198 5095281 4579917 2772448 2849356 927466 2626216 2680281 2711387 2632059 3593510 4935408 5568602 1773976 3848584 5461057 1662269 3544144 2399715 4592637 1821013 3913489 5287525 1898411 3858840 5567206 3303695 428939 4599032 4909629 4904299 472132 2930137 996173 415756 1481377 4812561 895686 876329 3126060 2744797 3026533 4207402 4145398 3841444 2497768 4101271 4426697 2529786 1916895 1730536 LysoPC (16:0)_R3 LPC 16:0 2372918 1452927 1500405 2020183 2340849 4929061 3100275 2017779 2221309 939842 1940867 2029283 2176470 2010042 2710592 4063078 6175060 1506612 2695473 6570336 1268650 2595463 2050770 3860947 1571131 3126945 4540302 1571433 2532652 6050479 2508188 593484 3041259 3730476 3780735 564487 1986740 1069672 509984 1203549 3395575 1009459 860576 2178245 2040861 2311485 3188852 3140490 2998133 2014223 3517019 3593637 1812002 1706406 1475934 LysoPC (16:1)_R1 LPC 16:1 1194194 777440 488003 552505 617359 1463171 810791 1122975 958638 243290 372779 550677 517417 831018 989751 1743585 3195902 329843 1409393 1872560 663415 772416 1019032 734879 692617 982906 927837 566447 846749 1552720 484278 129312 1230459 1250312 834264 173224 1237949 645346 90425 222783 756232 187086 224294 467705 594144 541976 644981 503371 809370 892736 1341788 621165 542288 500618 283407 LysoPC (16:1)_R2 LPC 16:1 149969 108115 76988 75853 663220 1485874 844368 145919 117682 259992 374994 556648 524720 99756 130807 205527 388593 330728 183495 223224 97000 786865 142002 92984 100403 109828 106757 91030 99475 1558746 71840 138511 150836 162584 101691 181346 158114 670153 90425 242201 807198 189787 232083 485722 76256 67996 83220 66854 105011 139612 172409 76772 65350 71180 291405 LysoPC (18:0) LPC 18:0 3721632 2771241 2846538 3241628 5469236 10600000 6235505 3019494 3933265 1427201 3677981 4218952 4236354 4186576 3221144 8859235 12000000 3517596 4866926 14100000 1661119 5310964 3947488 8011932 3195954 7592178 12100000 2557792 5003260 14700000 4380167 1245155 7127746 10400000 7617302 1463244 4538564 1537841 897746 3684305 7878895 2147832 1729979 4493141 5185152 5541559 6278444 6071486 7124097 3412464 7090187 5655623 3453993 2435585 3741811 LysoPC (20:4) LPC 20:4 327552 168889 325417 274120 747469 2092210 600722 366191 440495 112303 372499 287680 183335 413465 634832 1167056 1661357 193533 400132 1932304 144098 720896 311273 825652 358354 849936 1449103 264023 531782 2092038 450286 70167 737076 1107635 803618 63198 438262 105516 57893 250376 669125 79263 116826 388733 527700 252329 554818 658976 522602 272202 859040 708346 236829 147251 244777 LysoPE (18:0) LPE 18:0 1152990 737784 494099 711262 1054111 1472038 718333 616913 673652 319853 623714 586947 623034 572162 673030 1178593 1977300 461558 1704867 1946147 422971 710183 705430 1079511 483050 1183685 1390753 349446 785147 2114278 622810 277475 892505 1512909 968082 197678 610481 268846 192690 452168 918010 424131 302790 796339 568567 551164 869668 1248767 1066295 563994 1144562 905198 654049 810371 648688 LysoPE (18:1) LPE 18:1 768468 629528 701311 551292 909487 2017224 729536 1174207 1136438 485632 868060 447781 568130 1491367 1008840 2411165 1753560 331680 1321402 1337709 363857 2493668 812721 1691303 714127 1900333 872795 601159 870734 3256289 799873 132359 1486315 1700399 1254917 157830 766693 309924 179443 738867 972975 300981 360896 872462 1402124 557924 605500 1518677 855957 430699 2026221 1249112 615873 486352 623906 LysoPE (20:4)_R1 LPE 20:4 2258686 953987 863775 1187933 2435248 3647182 1955231 2240756 1860382 986323 1181921 991656 953614 1330309 3303652 3484757 4845144 774462 1782421 3048169 866676 2573984 1530206 1668979 1285019 3061352 2057206 932763 2732264 5111331 1885892 436737 2596846 3242726 2912634 379736 1426948 871942 347225 789196 2600676 610021 724900 2788509 2081561 1526474 1465236 2153753 2360898 1493440 3694982 2371537 1329246 1083854 1334274 LysoPE (20:4)_R2 LPE 20:4 3067848 2515014 1849230 2154636 3572936 2342173 2050042 1148749 2036635 1396583 1689454 1073749 541291 460171 934112 1410790 3514963 706027 3023257 2783198 720274 1287587 638426 2105541 977066 1223998 2056253 832684 1183822 5803634 1419859 2132350 3446829 2163096 1593153 1386200 1617045 917795 190859 844026 1823999 1789733 1894395 4539693 1322628 959205 1650919 3327667 1773326 1572469 3701068 1068863 2677422 1564281 1424140 LysoPE (22:4)_R1 LPE 22:4 478748 281456 107583 104580 65493 262465 181516 83740 245382 104407 255702 81249 57890 112218 80309 153663 250513 91958 533825 227852 108254 70319 78780 179543 135304 77500 122241 138589 122816 627662 35140 346309 66390 125936 95870 55876 150804 61950 34137 184311 175503 198599 186584 193760 197245 244975 215066 73163 168764 93259 75331 98311 271069 181940 106945 LysoPE (22:4)_R2 LPE 22:4 474713 264598 301538 153499 504937 256015 185718 83740 222932 101923 247744 81249 57890 112218 83837 122287 242623 91958 499782 214744 101847 73875 78780 179543 123326 116756 57489 145699 110789 616775 133035 342941 338258 214645 88023 126770 150804 61950 34137 205924 134957 194465 177928 181782 97477 176030 198868 454704 154324 150746 341633 112980 253449 187586 120206 LysoPE (22:4)_R3 LPE 22:4 84925 281456 304774 168035 110778 119908 181516 83740 245382 104407 255702 81249 57890 44448 79930 127903 250513 71425 140928 227852 108254 73875 68741 179543 135304 119826 105771 70052 79045 181668 141940 346309 339575 166642 95870 131627 150804 61929 34137 128405 135959 198599 186584 93960 138184 117357 215066 498661 118426 152298 129718 123100 50574 181940 98166 LysoPE (22:6)_R1 LPE 22:6 1029924 376637 257005 675826 890602 1443156 878156 856247 475989 889541 489111 324773 527332 816840 1129237 1119804 4006974 341097 489367 1420328 571818 698465 732542 910574 346737 920065 2402609 363835 961082 1683354 502128 270103 1064012 1545412 1384843 149273 599685 750110 194908 358296 1280067 364143 173061 1696294 656971 961352 750099 911986 728442 797495 1733994 1619931 591164 491451 564821 LysoPE (22:6)_R2 LPE 22:6 535944 376559 265364 443391 896345 1476876 563496 351182 310822 552209 349029 228261 521733 224500 320867 327259 1685399 226669 513913 682249 256176 323844 205010 661164 202012 307114 1398002 234112 1003490 1245162 285473 451860 888248 528693 1391199 308326 391887 353392 204259 146207 1274178 456925 340603 1731523 677899 415128 449034 684968 353246 440076 958395 355504 608897 319726 585838 Methionine Sulfoxide Methionine sulfoxide 2408186 2439367 1162372 2934930 2658429 3218129 1454942 5401918 2622108 1908741 1261618 1892441 2196124 2641678 1581955 3014896 2384430 2896238 1519470 1538969 1753675 2127536 1290069 2979507 2183188 3760334 2658599 2440341 2452680 4909499 2839675 1539750 3888471 3743471 4758857 2586263 2033809 3002617 2146658 2804034 3441216 2140658 2340667 9279611 3017773 3052833 1658819 2425048 2518197 3180918 6668273 8544213 2582307 1728749 2229259 METHYL BETA-D-GALACTOSIDE Methyl beta-D-galactoside 29440 49613 123987 153364 128101 159455 330087 122353 160435 486525 78682 149595 460966 1209408 56439 4575256 1069659 3932087 35091 1173451 279309 473916 115794 233640 170055 971472 398477 88912 148094 248830 76673 100356 133736 206001 306568 79112 316855 298050 54966 137847 319529 144206 81536 24286 754814 633000 163537 110235 962324 281592 184733 328436 77890 87785 358076 N1-Methyl-4-pyridone-5-carboxamide N1-Methyl-4-pyridone-3-carboxamide 6492797 4660071 3675320 14000000 1977460 4810714 10500000 2407383 4441022 4562778 2194506 7090023 4684496 10300000 2559435 2394690 3905326 10800000 2129629 4571303 4397699 3697618 4573699 5784365 9294971 5443430 3433225 3457890 4071307 5776021 3290199 3873277 4614894 3554459 4674478 4959791 3364537 7723974 1071438 3516911 3739816 13200000 5671683 3922143 4325115 2287422 3061942 2195124 5587765 5698568 3482609 4247846 1534162 2906248 2430679 N-Acetyl-Arginine N-Acetylarginine 214343 316537 149866 201671 115658 142625 416020 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845821 1190869 1042802 1272843 726289 738695 1127983 998274 802958 678485 2297301 1273663 1678831 1137406 1066164 1470751 1188253 858858 1696193 N-ACETYL-HEXOSAMINE N-Acetylhexosamine 1492660 846817 787306 570934 1066599 1225107 953525 905993 908508 803436 693179 861657 976950 654840 981244 710677 849150 593500 818630 892656 1061812 907140 599378 870498 807809 723245 605571 1044756 765016 1247968 778569 1233088 1204531 1159189 2087499 793281 951779 1069224 1275133 798504 947427 1142695 629896 2276742 850467 1042100 803313 1017886 636854 782718 1007423 798667 1189388 1576025 1021416 N-ACETYL-L-ASPARTIC ACID N-Acetylaspartic acid 25951 32497 30412 31062 25250 33017 36132 24468 29055 36122 25173 41274 25133 33967 21077 30791 31294 37153 23758 27273 55311 27418 43433 32048 35554 32963 68099 43015 34282 35654 30140 50269 20631 41888 33351 33181 48014 34134 31970 30331 27252 24050 27893 27484 28127 30344 27138 34889 37184 28736 19539 21909 20834 30292 31338 N-ACETYLNEURAMINATE N-Acetylneuraminic acid 1050648 1013509 1004298 693761 760405 525422 453217 499058 843678 545071 544012 299307 703678 599505 259103 418614 696949 538573 2149255 660804 530749 275592 428567 549099 660297 617726 704263 544308 307766 527195 399211 611427 567954 506338 367886 729262 481217 572087 435442 443662 654166 2380851 722470 458620 376178 467084 546332 884303 431729 636592 658758 384593 796145 714341 1268819 N-ACETYLPUTRESCINE N-Acetylputrescine 2142611 1871015 1736023 1904925 1985463 2722548 1449412 2752799 1817061 1705899 1972132 3312876 1419583 1539618 2089188 1272315 1738179 1269425 478114 1795506 2777631 1546671 2314497 1959965 2428633 2968679 1958094 1995153 2136645 2394294 1402190 1933434 2287226 2208570 1878631 2116161 2655982 4212324 2855882 3260916 1577130 1598592 1747650 2242866 1987796 1866310 1982285 2620137 1040408 2006991 1174306 1224836 1878246 2596794 2752365 N-ALPHA-ACETYL-L-LYSINE_R1 N(2)-Acetyllysine 4272233 2937757 2688861 3124058 3133267 3806772 2812190 3559170 2809334 4340332 7094524 2600212 3724180 4873690 3326180 4561349 2562406 4220057 1628790 3294420 3320501 3740853 6210824 3380517 3513618 4778928 3005584 3287868 2584253 4332840 2591159 2585518 2985308 2605506 3583253 2406333 2855921 2946460 3499395 2682279 3680073 3272902 9495904 2641265 2720247 2711601 2457129 2981445 2887288 4029098 5037253 2891431 2102008 3663107 3153939 N-ALPHA-ACETYL-L-LYSINE_R2 N(2)-Acetyllysine 1661010 3294893 152994 2290748 3146215 3856704 2865710 2280950 1356270 4188429 6848878 189910 3724180 5056222 3320830 4525944 1332750 4266095 1684195 3343076 322612 361619 5995037 3399762 3648234 4736874 3029231 1209138 2635296 4305322 2700941 2628202 1621212 2628901 3606100 2477390 2895636 845843 1167721 2666440 3763434 1242099 9371592 2672132 2583382 2820118 400442 1267722 2881988 4149788 5037253 1788987 1027647 3689529 2572183 N-BOC-L-Aspartic Acid Aspartic acid 8713182 9901797 6973354 7199164 7859772 8377461 9025734 8510225 9379212 9553994 7222137 7551982 7912769 10700000 7774295 9000452 8552656 9895635 8681939 9028203 7264529 9377910 9728488 9725869 7099755 6993749 11100000 8353956 9265719 8309324 9939756 7817881 6759770 10100000 10200000 7805641 7992116 8601777 9358685 8682562 8635905 7752774 9283210 8847154 8413733 8456900 9745522 8870060 9309610 7392721 8779078 10700000 6611440 9983934 10500000 N-BOC-L-tert-Leucine 14900000 17100000 14400000 13300000 15800000 16400000 15400000 15500000 16300000 16600000 12800000 14000000 13300000 18500000 14000000 15900000 13900000 16400000 14700000 15900000 12300000 16400000 15800000 16000000 13100000 12400000 18000000 14600000 16000000 14100000 17800000 14700000 14400000 17400000 15900000 13200000 14100000 16800000 14200000 13600000 15200000 14400000 15700000 16300000 14400000 15400000 17500000 15200000 16900000 13700000 15000000 19000000 14500000 17200000 18500000 N-BOC-L-Tryptophan Tryptophan 16300000 20800000 15000000 15700000 18700000 20300000 20200000 15000000 18800000 15800000 19400000 18200000 20400000 13300000 19400000 17300000 18600000 18600000 17400000 20500000 16800000 16200000 17400000 18300000 14500000 13500000 21200000 15200000 20700000 19500000 21700000 20100000 18100000 22500000 20200000 21100000 19000000 20600000 20200000 16100000 18600000 18100000 15700000 19700000 14500000 22100000 20600000 21200000 15500000 17600000 19900000 19200000 18300000 17900000 24100000 NEPSILON_NEPSILON_NEPSILON-TRIMETHYLLYSINE N-6-Trimethyllysine 6050392 8335030 9100626 9356871 7069957 8082094 16000000 7766085 11000000 7195175 10200000 14500000 12600000 23300000 11100000 7803335 8810244 13700000 9869218 12500000 12500000 14000000 19000000 14800000 10200000 15700000 11700000 11000000 9041170 6885122 10300000 9883515 12100000 11400000 6530212 9462623 52800000 13200000 7366857 11100000 10300000 6339403 10900000 7567247 17000000 9281620 10800000 10200000 17200000 12400000 38700000 11900000 9741522 7200392 19900000 N-formyl-L-methionine N-Formylmethionine 74209 72415 74634 61317 75944 77630 88584 76439 77407 69776 39638 71771 63468 117801 73663 66398 75022 84848 77393 84509 58664 148924 97711 84715 70767 77211 91358 60391 75528 70822 64521 85474 74555 77937 79761 47229 56948 121657 66147 87230 80102 60687 75227 69201 72149 61031 77117 69513 58148 64755 77251 109549 45249 68329 81748 NICOTINAMIDE Niacinamide 26300000 22800000 21800000 22700000 17100000 8316641 7209652 6308777 15800000 14200000 11500000 5157301 9504583 7930248 6492383 8522414 10000000 5341330 33100000 12700000 5052286 2738700 2571122 6872541 10400000 12200000 7072712 3738756 1212569 12300000 3651993 12700000 10000000 7840864 5084269 10800000 9610411 6632605 3219295 6369128 5885908 15700000 8950828 6388541 8543178 3193241 7843499 19200000 9675359 11900000 7557220 8570319 9502440 11900000 8169048 N-METHYL-D-ASPARTIC ACID N-Methyl-D-aspartic acid 39300000 17700000 11900000 22500000 9523847 7309959 9600311 19100000 11300000 8176287 16100000 3555861 13400000 11500000 4581658 11300000 11400000 18400000 20600000 8333351 4779163 5281558 3583622 11300000 7516497 14600000 7329328 6154895 5185965 12700000 6845971 7882507 12200000 8752306 13100000 9728273 7463532 11800000 5168379 6739934 5036420 21100000 10500000 16100000 4074814 5075326 8676185 12300000 5728882 17800000 17500000 7002643 20700000 9396190 11800000 N(PAI)-METHYL-L-HISTIDINE 3-Methylhistidine 87300000 77600000 79200000 110000000 68000000 70200000 137000000 78600000 104000000 155000000 85600000 130000000 68500000 213000000 123000000 77200000 115000000 133000000 92000000 91200000 82600000 96000000 142000000 125000000 105000000 163000000 149000000 73700000 77400000 90200000 146000000 111000000 87700000 79500000 74600000 78800000 87300000 176000000 55900000 94000000 66900000 130000000 122000000 78000000 95900000 56100000 81400000 89100000 116000000 96400000 99400000 63700000 105000000 90100000 130000000 O-ACETYL-L-SERINE O-Acetylserine 1880073 1384378 2003523 1433195 1791307 1850453 1815231 1420774 1563672 1509788 1359724 1519243 1136630 2108345 1893116 1444997 1460731 1693644 2515708 1633861 1705895 3019279 1883565 1511884 1945434 2060656 1441738 1562710 1457287 1770139 1372370 1865971 1576207 1692367 1659309 1309261 1296157 1997421 1272818 1647641 1496619 1604356 1493128 1619227 1408039 1292871 1542660 1739081 1296243 1589537 1239252 1924965 1232436 1613625 1440152 Octanoylcarnitine CAR 8:0 4567450 1956343 3453600 2758744 9028880 4471506 3908943 3189341 1959824 4712529 12200000 3025652 2613156 6647878 7277451 2143053 3175297 4960596 1865637 7004186 4720421 5675926 4634962 1768274 4548624 2478983 8003268 1144567 3130600 1444016 4936806 33500000 2241968 1948878 2520884 7430176 2955915 7672937 9170530 1224123 2324582 2982261 1768021 11900000 5207168 4694449 2961937 2539947 2632187 1039524 1685516 3711408 10700000 1585442 2531558 ORNITHINE Ornithine 967432 2135090 816984 1317598 907178 1287217 1149596 1364534 1413692 808186 1360097 1965366 2025024 2706747 1025322 3220329 1466562 2735010 1082075 1412755 658192 816593 1621024 1444349 1228349 3073870 1739537 1178293 901508 2057017 1890545 565612 1312571 1417653 990425 1295242 1323267 1591314 761782 1575163 1520057 1607275 1608351 1272565 1104247 838648 862196 2006525 1054260 964640 1341465 1372932 596047 859608 1436129 Pantothenic Acid Pantothenic acid 1492876 1038073 1168829 4530774 869838 1296906 1733800 1972581 1056703 1387885 999189 667021 1335950 4161540 984245 1408014 1779314 3716983 1055604 2607142 880725 1308096 2463491 1094917 1845869 1444765 6001617 816765 944576 1274131 978695 1660478 975825 1133830 1172740 831888 735635 969583 661281 715637 772329 4421666 1067557 1502333 803516 667120 610886 837286 1256591 740400 1235448 1048691 617942 594343 1074081 Phenylalanine Phenylalanine 527000000 586000000 423000000 524000000 443000000 483000000 429000000 528000000 525000000 471000000 460000000 554000000 505000000 715000000 482000000 770000000 414000000 592000000 470000000 508000000 440000000 499000000 382000000 591000000 467000000 628000000 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243971 428705 412934 470119 484861 316777 264364 845961 236276 550131 381855 503602 324056 437004 313432 304314 371840 487877 445455 533734 817619 152708 359148 221956 792230 710002 496069 666207 256270 458742 306087 468110 504427 PIPECOLATE/L-PIPECOLIC ACID Pipecolic acid 32200000 50400000 54600000 71200000 33400000 49700000 35600000 94300000 57300000 78400000 71500000 74000000 26200000 59100000 52100000 109000000 39700000 86500000 26400000 42500000 48900000 36100000 54900000 74700000 37500000 58600000 140000000 40700000 35300000 52800000 49600000 36000000 59900000 44300000 39700000 21200000 34100000 62700000 74900000 60500000 37100000 85100000 34400000 108000000 52400000 47300000 49700000 38700000 56900000 40800000 55500000 42200000 35000000 134000000 130000000 Proprionylcarnitine CAR DC3:0 24300000 17700000 20400000 43800000 21200000 13700000 22100000 32700000 26400000 17600000 24700000 36300000 22300000 34600000 31000000 25200000 22000000 26700000 23000000 24300000 11300000 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232864 212062 28112 20696 25908 29291 24914 35971 9029 144615 74922 49670 38556 317366 33485 20451 42848 43818 44530 38829 17936 49265 31335 61037 54876 QUINATE_R2 Quinic acid 603762 21839 57088 1584815 69459 22253 253605 24587 70622 89982 324795 723593 410471 3394278 22623 99051 420024 186704 53497 131299 684460 57855 48759 415046 61844 365708 296395 73278 52507 66108 210845 79428 24365 73182 22183 66282 68490 152461 18012 114414 57159 40436 66340 390899 54316 62711 21017 39451 17204 57747 26263 58413 81426 85175 56600 RIBOFLAVIN Riboflavin 76919 253501 94501 393301 36767 67450 204192 74004 47727 58680 15535 85589 73705 165902 34538 56852 30658 164045 26987 80329 40116 64032 23901 129428 122434 35547 87523 80833 145396 86117 125932 93469 1280820 68490 354049 266606 89061 64379 21569 34491 39354 616996 106280 74795 209642 108387 107024 53875 168445 127363 26959 224024 27515 32297 81116 S-CARBOXYMETHYL-L-CYSTEINE S-Carboxymethyl-cysteine 33759 60599 58301 69288 53198 39426 23586 35864 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1151131 2182249 1455222 1151492 452884 1243445 924978 769608 476372 837701 704593 1897005 1176626 975709 753788 403717 1666672 2985842 347756 1233813 945337 1275914 882622 2081208 1872119 SPERMINE Spermine 3963755 2188875 3389901 4127971 182536 103169 129026 190772 276286 313329 184118 97018 758822 306938 438613 408053 177512 162771 1576640 487428 191811 63464 119701 149984 461408 799686 143178 130846 52811 832615 88565 721462 187034 275105 77260 104430 168731 117553 42982 120315 149551 571495 193860 112560 77051 45607 194841 1249293 22114 319065 83438 215457 155945 342015 368960 Stachydrine_R1 Stachydrine 12200000 87600000 55100000 126000000 32800000 94800000 289000000 134000000 40500000 118000000 31900000 106000000 414000000 59900000 20200000 786000000 61300000 760000000 145000000 105000000 26900000 254000000 55100000 107000000 157000000 37200000 50300000 35900000 12300000 216000000 52900000 25400000 66900000 177000000 441000000 96500000 120000000 58100000 93600000 221000000 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23200000 2208284 5432216 17100000 10700000 1230511 772402 4517099 Tryptophan Tryptophan 515000000 631000000 514000000 634000000 617000000 698000000 569000000 418000000 505000000 524000000 469000000 593000000 523000000 810000000 489000000 828000000 474000000 716000000 538000000 687000000 436000000 715000000 525000000 578000000 698000000 619000000 591000000 570000000 533000000 425000000 731000000 345000000 563000000 596000000 539000000 396000000 609000000 482000000 472000000 395000000 493000000 334000000 597000000 460000000 705000000 531000000 526000000 555000000 738000000 539000000 498000000 567000000 334000000 525000000 467000000 Tryptophan-2_3_3-D3 Tryptophan 107000000 114000000 104000000 97800000 98700000 99100000 103000000 106000000 110000000 111000000 99100000 101000000 109000000 113000000 102000000 103000000 103000000 106000000 109000000 109000000 104000000 110000000 107000000 112000000 96500000 96100000 116000000 105000000 110000000 101000000 113000000 103000000 99000000 109000000 124000000 105000000 102000000 111000000 110000000 106000000 112000000 102000000 109000000 112000000 107000000 107000000 118000000 105000000 108000000 102000000 108000000 121000000 97300000 113000000 121000000 Tryptophan-2_3_3-D3-NH3 Tryptophan 27800000 28600000 27600000 26000000 25300000 25600000 28300000 27300000 27900000 29600000 25700000 26200000 26800000 28000000 27000000 25900000 26400000 26100000 26600000 28000000 27700000 27600000 27100000 28900000 25100000 24900000 30100000 26600000 29400000 26500000 29700000 27100000 26400000 28000000 29900000 26700000 26100000 26400000 26400000 26700000 27600000 26800000 29700000 27900000 25700000 26400000 29100000 27200000 27000000 25700000 27800000 29900000 25700000 28200000 29900000 Tryptophan-NH3 Tryptophan 150000000 180000000 150000000 183000000 175000000 200000000 172000000 120000000 144000000 154000000 136000000 171000000 143000000 220000000 142000000 238000000 137000000 200000000 147000000 196000000 128000000 203000000 148000000 163000000 203000000 180000000 169000000 163000000 157000000 124000000 213000000 101000000 167000000 167000000 149000000 113000000 178000000 132000000 127000000 111000000 134000000 96800000 179000000 130000000 196000000 143000000 144000000 157000000 207000000 154000000 139000000 156000000 98200000 145000000 129000000 Uracil Uracil 555206 290537 605361 344353 219688 240452 236691 207466 242282 287481 189480 184220 187771 177597 212004 231454 203447 236316 185717 315285 225641 302132 207440 248434 243628 196331 332201 204897 142955 302658 206803 258652 242741 293733 331359 225050 204572 336581 141310 188578 168919 200252 226229 197695 206032 145047 282924 265323 372117 285496 199102 267267 158361 185202 192781 Ursodeoxycholic Acid (UDCA)_R1 Ursodeoxycholic acid 56536 97277 149246 24013 40453 75837 117816 307259 86025 34590 52089 110884 192629 11571 381848 109913 151894 65475 66184 149427 84933 67009 52302 91340 11900 139809 56076 39578 361272 19144 59255 83214 52744 119365 28583 42717 20200 39115 24329 126973 24525 99690 33971 34459 36857 12312 38965 25879 41423 77040 79467 26787 110147 136752 42391 Ursodeoxycholic Acid (UDCA)_R2 Ursodeoxycholic acid 111642 270619 692143 9432 8816 28476 172024 143718 97711 27325 11910 56822 333809 10314 153149 48999 53723 31600 36009 78907 181261 160613 30612 98580 68865 37398 5434 151179 25630 44973 28536 22977 8306 11492 19928 8533 24489 8584 47339 12137 18920 13251 7091 10842 5937 23395 41600 35831 6043 12376 48487 23777 Xanthurenic Acid Xanthurenic acid 79711 104895 91813 108734 33108 44675 155315 95345 110238 218239 61509 120172 97521 178812 110769 80363 45416 127397 66778 109096 93304 162778 105578 155501 84657 108544 134114 52984 31206 16595 80992 51033 60597 116166 78736 58230 48540 106308 30615 39750 61449 8606 137755 84824 66925 37287 59371 77574 117641 56097 88837 68406 38755 93633 33622