metabolite_name blank1 blank2 blank3 blank4 liver chunk1 liver chunk2 liver chunk3 kidney1 kidney2 kidney3 pooled sample Qca pooled sample QCb pooled sample QCc pooled sample QC 1/3 dilution pooled sample QC 1/10 dilution pooled sample QC 1/10 dilution a 2-aminoadipate N/F N/F 2805903 N/F 35584152 106395704 12913800 14570521 36102537 12476173 33371430 38538330 37545464 11681165 1590946 1872951 2-aminobutyric_acid N/F N/F N/F N/F 35076847 39335573 34503587 2777945 3846689 3338245 16752604 17761747 16645556 7183726 641965 N/F 2-hydroxybutyric_acid N/F N/F 57871328 N/F 6738690 7765867 9057469 N/F N/F N/F 3611071 3691608 2822793 1836503 N/F N/F 2-hydroxyglutarate 2777257 2300793 67957789 14683256 12984597 22177255 15116884 27779006 27549222 19247237 26731834 19662521 17833311 10362184 3401374 6449612 2-oxoadipate N/F N/F N/F N/F 2176236 2665155 2286581 1514360 2109547 2119263 2636616 2014659 1846277 891954 224837 253817 2-oxobutyric_acid N/F N/F N/F N/F 14731488 13360180 13119704 7398220 6530388 4806002 9920427 10679487 8781778 3391439 N/F N/F 3-hydroxybutyric_acid N/F N/F N/F N/F 3355575 5460520 5231009 2835280 2358121 2593783 3198059 3803044 4037827 2085986 N/F N/F 3-hydroxyisobutyric_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3-methyl-2-oxobutyrate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3-methyl-2-oxopentanoic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3-phosphoglycerate N/F N/F 2588148 N/F 6286414 9298965 5849988 8485852 12132027 5011460 15383593 7172998 4882190 2074935 374868 1268609 3-ureidopropionate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 6-phosphogluconate N/F N/F 195686 N/F 3633649 5493826 2570980 489491 694560 584799 3537000 1886434 1498149 520832 N/F 127867 acetoacetate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Acetyl CoA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylalanine N/F N/F N/F N/F 3473678 5356558 2994197 8034639 9131121 8580786 5543055 5631212 5201164 1301816 N/F N/F acetylaspartate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylcarnitine N/F N/F 315258 N/F 980917586 1373680736 763937469 935027286 978349643 1170263917 880424849 962035869 991694362 325972437 90787093 84538408 acetylglutamate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylglutamine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylglycine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylmethionine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylserine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F adenine N/F N/F N/F N/F 114187018 202758104 98230877 268451463 242766818 221428983 139913535 186951031 198519112 68422192 16454126 11351628 adenosine N/F N/F N/F N/F 534615610 932005194 473836439 1248398100 1165028898 1028627601 667990363 880853210 909831567 315811403 89414957 69992051 ADP-ribose N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F ADP 158479 N/F 14750461 275481 64024338 60825394 76273347 34148629 33680958 33863776 55649314 46119906 44776677 16978413 4564892 5598510 AICAR N/F N/F N/F N/F 361549 1378275 923175 179609 387260 N/F 761158 632466 608865 128694 N/F N/F alanine-13C3-15N N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F alanine N/F N/F N/F N/F 30476528 33621270 20234138 4277119 4374292 5350247 13213947 14464127 14582942 4284450 N/F N/F ALA_114 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F allantoin N/F N/F N/F N/F 36017999 49081413 26903111 22452791 16384740 23444727 26495953 27389921 26797630 9529057 2150972 2048166 Alpha-Ketoglutarate N/F N/F N/F 2334394 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F amidoadipate N/F N/F 2695906 N/F 35584152 106395704 12913800 14570521 36102537 12476173 33371430 38538330 37545464 11681165 1590946 1872951 AMP 182468 N/F 71230516 3170566 397069936 463112195 346809889 332693925 385596973 358755492 458086826 351617018 334787319 122168772 32901459 59874639 anserine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "arginine-13C6,15N4" N/F N/F N/F N/F 351213 228805 324830 1893492 1565964 2405309 N/F 585331 1637786 N/F N/F N/F arginine N/F N/F N/F N/F 2218165 672558 2246170 38728214 32266600 51708607 7178197 19313173 25275875 3032494 307059 N/F argininosuccinate N/F N/F 2354307 N/F 7012433 4435052 5447901 7731295 5703623 5122920 3959413 5773689 6849429 906278 N/F N/F ascorbate N/F N/F N/F N/F 107792779 126098684 50276798 39983504 12050025 39443196 21389330 50920241 58454526 11064376 N/F N/F asparagine N/F N/F N/F N/F 1986703 2221078 1213824 1283598 1065849 1575110 1267273 1258704 1658034 N/F N/F N/F aspartate-13C6-15N4 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F aspartate 3631173 3158120 12043301 11798104 16326400 19581685 12338679 53907435 77485686 74603565 57565988 41418245 38527969 21251226 20321023 38126126 asymmetric dimethylarginine (ADMA) N/F N/F N/F N/F 4435498 4633481 2696278 1974228 N/F 2341599 N/F 2664465 3449770 N/F N/F N/F ATP N/F N/F N/F N/F 16248470 13619970 12629260 6918932 6625689 7103242 9035842 9938442 9709552 3675247 606473 460983 beta-alanine N/F N/F N/F N/F 4031399 5683298 4074552 N/F N/F N/F 724247 1700775 1799603 1502967 N/F N/F betaine N/F N/F N/F N/F 2505444594 4796105895 3429151873 2971461032 2146779819 3411389316 3044517246 3273519021 3215077782 1233523915 381159968 374618472 biliverdin N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F biotin N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Butyrylcarnitine N/F N/F N/F N/F 234901344 307374139 195997503 153755306 138589777 203474922 175886892 189101698 193123130 63405476 15135100 13236007 C5 Carnitines N/F N/F N/F N/F 75123671 89661767 64723231 32117684 24463928 33834190 47204791 47427498 48717552 17391366 3514576 3211392 Carbamoyl Aspartate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F carnitine N/F N/F N/F N/F 1122495276 1439467030 957151242 2136178870 2055431487 2728017154 1408976789 1698302354 1763898730 471775459 120287876 103406532 carnosine N/F N/F N/F N/F N/F N/F N/F 533208 979710 1456868 N/F N/F 408679 N/F N/F N/F CDP-choline N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F CDP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F choline N/F N/F N/F N/F 288311383 332177897 283344893 859702133 896555937 868828791 537848666 556114748 542528335 149196948 46623045 42782877 cis-aconitate 1637800 1169252 N/F N/F 80806424 75041717 83307773 135369293 141000787 112901056 119404236 100899317 84955708 43629777 15194387 17096748 citrate N/F N/F 252137575 9451176 84117518 56488446 61659433 129385083 117572804 246115829 106342019 117510605 118682081 29135852 13640043 14574539 citrulline N/F N/F N/F N/F 1802988 2135707 1350363 790053 276476 766863 900885 648934 785614 N/F N/F N/F CMP N/F N/F 1500960 N/F 3336997 4081793 2296012 1731073 2402181 2332464 2772298 2221990 2508543 569410 N/F N/F Coenzyme A N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F CoproP_III N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F creatine N/F N/F N/F N/F 818369878 864940285 501084145 1992717305 1871598328 1831239679 1121901763 1386691259 1420603677 413820653 82940173 59660144 creatinine N/F N/F N/F N/F 72017149 73051233 59069843 137029289 112058974 229720668 97980330 106017697 114649739 24876900 9390085 7660749 CTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cystathionine N/F N/F N/F N/F 4820582 4847919 4652344 N/F N/F N/F 2601940 2908570 2655442 457648 N/F N/F Cysteic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteine-glycine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteine_13C3_15N1 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cystine N/F N/F N/F N/F N/F N/F N/F 13397301 14599131 7857491 2582238 3729485 4351578 N/F N/F N/F cytidine N/F N/F N/F N/F 334235 343158 149909 894264 962656 1057821 N/F 577572 604801 98160 N/F N/F cytosine N/F N/F N/F N/F 2102383 2301336 1227347 5788666 4663813 6083165 3694394 3087444 3378806 1189756 N/F N/F dATP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dCTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dCytidine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F DeuteroP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dihydroorotate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dihydroxyacetone_phosphate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dimethylglicine N/F N/F N/F N/F 34412590 38713798 35452034 2920111 4166297 3338263 17060215 18040454 16645531 7184760 641964 530383 dTMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dTTP N/F N/F N/F N/F 3389336 3276989 3370755 3120197 2648176 2886923 2363785 4139336 3160986 2551955 482440 N/F dUMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F erythrose_4-phosphate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F F6P_G1P N/F N/F N/F N/F 36501656 54938061 35668882 9226258 9984334 9378401 34161178 23845527 22865038 9602503 2453194 5567402 FAD N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F folic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F formyl_methionine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "Fructose 1,6-bisphosphate" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F fructose N/F N/F 13276249 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F fumarate 2720723 2569429 14238416 5375487 62771770 71813058 34442139 38882813 34205010 29224951 44977617 40216976 37521718 19278319 5775571 8190047 gamma-aminobutyric_acid N/F N/F N/F N/F 1925996 1989449 1119578 2139246 1610614 2495714 1770870 1627693 1413616 173201 N/F N/F gamma-aminolevulinic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F gamma-glutamyl-alanine N/F N/F N/F N/F 11112857 5594341 11669986 11997959 3480180 2630773 5551223 6563750 6778862 2711196 277463 N/F GAR N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GDP N/F N/F N/F N/F 1291745 1031251 1772341 1555016 1492075 1733148 1318404 1490697 1415915 320569 N/F N/F Glucose 6-phosphate N/F N/F N/F N/F 35612257 55091318 34067469 9536075 10252707 9343792 34161178 23845527 22865038 9863233 2380602 5567402 glucose N/F N/F N/F N/F 195581597 271617240 175916238 5326509 4647190 4202721 117170231 106798704 98688668 47116243 8212123 8726237 "glutamate-13C5,15N" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F glutamate 358007 410338 7442900 1620876 47957110 48989477 34063597 135849665 149846331 139681671 106293062 90745441 87017414 47622732 34719117 54977599 glutamine N/F N/F 502344 N/F 168687389 173276287 132223987 27560765 23227834 33028486 89556827 90807510 83260600 33451220 6002551 6189857 glyceraldehyde_3-phosphate N/F N/F N/F N/F 202198 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F glycerate N/F N/F N/F N/F 322007436 286144279 346650516 378746745 388199902 363246515 376655194 330628983 338576534 178358836 66186616 68966189 Glycerol 3-Phosphate N/F N/F N/F N/F 5553639 7970716 4763610 142448 678764 887941 2618100 3481753 3026090 947969 N/F N/F Glycerophosphocholine N/F N/F N/F N/F 359378509 512109363 253148278 3493686817 2579225488 5940546072 1664029051 2325458148 2455222786 392515286 153371789 154371617 glycine N/F N/F N/F N/F N/F N/F N/F 1238512 1143795 1494446 N/F 317518 486853 N/F N/F N/F glycine_13C2-15N N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GMP N/F N/F N/F 236999 65661553 74473122 62685602 57215382 62408026 53468859 80271670 57723218 50976850 17805080 4714899 9220236 GSH-13C2_15N N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSH N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSH_13C2-15N-Ellmans N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSH_Ellmans N/F N/F N/F N/F 5687405 11124492 4333961 N/F N/F N/F 1925075 670349 477600 N/F N/F N/F GSSG N/F N/F N/F N/F 26759925 45411820 17624978 1772000 10115406 4897135 15471992 15517453 13914649 5302409 386649 N/F GTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F guanidinoacetate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F guanine N/F N/F N/F N/F N/F N/F N/F 2198479 2267710 2451785 1154315 1134421 1358069 235825 N/F N/F guanosine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F histidine-13C6-15N3 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F histidine N/F N/F N/F N/F 40580181 44962438 32506915 7647584 7020881 7515144 21384713 20505542 19034103 7186871 827260 502650 homocitrulline N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F homocysteine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F hydroxyproline N/F N/F N/F N/F 3473678 5356558 2994197 8034639 9131121 8580786 5543055 5631212 5201164 1301816 286168 N/F hypotaurine N/F N/F N/F N/F 311470 2551349 1286448 225413 1766456 1214723 1244452 1184129 1400940 251128 N/F N/F hypoxanthine N/F N/F N/F N/F 108891026 218251566 99514934 420350596 420321184 555067743 215030056 322134274 365217110 88610491 17988846 13621958 IMP N/F N/F N/F N/F 51395746 76454697 69914584 100342601 137655475 126120816 120354272 88750457 79401451 24335503 8105269 14415853 indolelactate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F inosine N/F N/F N/F N/F 3016283 8227929 4041854 6584226 7862990 6172624 5457719 5539283 5398073 1292998 N/F 248024 Isoleucine-13C6-15N N/F N/F N/F N/F 1556860 1150380 1337682 2144951 1860941 2269500 730347 1585634 1678656 385289 N/F N/F isoleucine N/F N/F N/F N/F 73366503 82097893 73997083 40131541 38268000 39363859 52456781 47369010 53061469 18762626 4141212 4237832 Itaconic Acid N/F N/F 25059317 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Kynurenic Acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F kynurenine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F L-Ureidosuccinic acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F L-ureidosuccinic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F lactatic_acid N/F N/F N/F N/F 147867953 208706117 137228211 2762785 3696837 5844006 85550895 76566082 76038710 33382706 3234969 6028789 leucine-13C6-15N N/F N/F N/F N/F 1159605 895305 1085492 1679826 1543113 1521973 1141322 1291418 1290396 375227 N/F N/F leucine N/F N/F N/F N/F 101220605 117573695 87507101 50353173 46978292 58895183 64914767 76368030 71993388 26650731 7437338 6086049 lysine-13C6-15N2 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F lysine N/F N/F 2159561 N/F 36655433 36788469 34237098 12246098 14996112 11080151 23204001 21770528 20548279 7117167 1134149 1019449 malate 6654909 5432089 175674622 39077637 331500671 388958100 186189853 205201448 192905138 142007077 257773757 219593807 200562334 102483112 29936165 39678563 mannose N/F N/F 16480304 N/F 20905650 21202011 17598129 427011998 389933813 515294844 196752198 234724467 245362474 64852704 29766049 28261764 Methionine sulfoxide N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F methionine-13C5-15N N/F N/F N/F N/F 361081 735404 777614 706712 942023 870892 302693 456627 731138 N/F N/F N/F methionine N/F N/F N/F N/F 14844536 13651479 11008926 21624233 23034477 22180280 17512626 16861043 17612116 4948183 1247051 1014932 methylthioadenosine N/F N/F N/F N/F 3536464 6750002 3462732 2626050 3110715 2613738 2729716 3293097 3375099 1191807 N/F N/F myo-inositol N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylcysteine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylglutamate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylmethionine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylornithine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylphenylalanine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N2-acetyllysine N/F N/F N/F N/F 1325301 2555242 1299247 1228118 1596369 921511 N/F N/F 1711088 N/F N/F N/F NAD+ N/F N/F N/F N/F 71383613 80579261 83633737 79812911 87324745 99330313 72088965 77872835 80554661 27116188 8349210 7809869 NADH N/F N/F N/F N/F 23307884 20720211 39231383 6993054 8197296 10531240 17738452 16368839 16769644 5199525 N/F N/F NADP N/F N/F N/F N/F 10464992 7435538 8064540 5880415 7167970 8992688 6142726 7566291 9150436 2135063 N/F N/F NADPH N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F niacinamide N/F N/F N/F N/F 3444438421 5221887530 1770085695 2145394896 2006547844 1609418252 2927935822 2714177105 2485491848 1293439501 363755874 373944868 O-phosphoethanolamine N/F N/F N/F N/F 7536253 7910418 5999251 43185413 43390123 51481855 23490085 27314212 26412648 6931629 2336667 2633103 ornithine N/F N/F N/F N/F 21436835 21600703 12845420 3712055 1621372 4974757 3997756 12659583 19107564 3437249 224562 N/F orotate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F p-aminobenzoate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F palmitate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Pantothenate N/F N/F N/F N/F 373872 275496 N/F 4292126 2997235 3439593 1861227 1676117 2186609 N/F N/F N/F PBG N/F N/F N/F N/F 2479433 1363367 2063285 N/F N/F N/F N/F 1218581 1334767 N/F N/F N/F Phenylacetyl glutamine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phenylalanine-13C9-15N N/F N/F N/F N/F 1734411 1884026 1858328 2338567 2287031 2780564 1575218 1558603 2184945 710260 N/F N/F phenylalanine 120020 N/F N/F N/F 59209657 69117423 55672886 36367226 34817761 39404283 43298610 44492359 45362149 15919839 3779745 4189879 phosphocholine N/F N/F 516432 N/F 250219090 476183467 325314780 673580101 574104038 942942104 307885667 509485054 557872587 105759796 24169107 20505797 phosphocreatine N/F N/F N/F N/F 1047504 1553932 1095099 887481 1514655 956296 521971 804766 1096517 N/F N/F N/F phosphoenolpyruvate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phosphoethanolamine N/F N/F N/F N/F 4961216 6421657 3899383 25894052 26425498 33135738 15033295 15897191 16862703 3735949 503457 1006189 phosphoserine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Picolinate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Pipecolate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F proline-13C5-15N N/F N/F N/F N/F 2145436 2179256 2292066 2607913 3130942 2007952 1646489 2423594 2238253 380945 N/F N/F proline N/F N/F N/F N/F 274693260 238171935 184416221 78207355 77611464 73786885 143600729 140097727 127930871 42638377 6013704 6199564 propionylcarnitine N/F N/F N/F N/F 181149897 218421483 168250665 63691048 53482336 71805043 108099438 113966603 113378592 40969385 6399550 5404809 ProtoP_IX N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F PRPP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F pseudouridine N/F N/F N/F N/F 6536968 10082349 4773991 11378459 10113768 14474262 7852447 8503228 8725637 2666636 745869 755982 Pyridoxal N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Pyridoxine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F pyruvate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Riboflavin N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Ribose 1-phosphate N/F N/F N/F N/F 17846564 27415928 18487693 7460070 7810756 5577753 14371336 12326762 11782576 4782809 602521 1634764 Ribose_Ribulose 5-phosphate N/F N/F N/F N/F 17846564 27415928 18487693 7460070 7810756 5577753 14371336 12326762 11782576 4782809 653913 1634764 S-Adenosyl-L-Homocysteine N/F N/F N/F N/F 6429978 9106146 7466051 796129 526082 1296327 2703106 3532402 3209589 845098 N/F N/F S-Adenosyl-L-methionine N/F N/F N/F N/F 7117454 11113842 4743011 7258095 7666240 7803621 6700055 6909374 7227593 1764680 N/F N/F sarcosine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Sedoheptulose-7-phosphate N/F N/F N/F N/F 15819780 25334853 10515808 3981202 5832116 5210075 14123689 9831464 8569847 3578265 664743 2238183 serine-13C3-15N N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F serine N/F N/F N/F N/F 917079 985584 227948 832335 733647 941037 706113 633902 890608 99089 N/F N/F sorbitol N/F N/F N/F N/F 12520403 33089316 12843980 203369257 13666111 1385079536 174284999 312886169 365476732 19462908 43790793 36825429 succinate N/F N/F 48081035 2756515 96153109 134710684 91677380 68421956 66515505 70516384 90227454 81037559 81194545 36417188 8753152 8903231 taurine N/F N/F N/F N/F 2705996611 3427449234 3484709344 1933607200 1780650768 2005340203 2749922715 2391934376 2334288043 1451437596 718033750 1032457054 thiamine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F threonine-13C4-15N N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F threonine N/F N/F N/F N/F 5252915 6498266 4998234 4550910 4490409 5717247 4963889 5025230 4761621 1141140 N/F N/F thymidine N/F N/F N/F N/F 1354370 2758147 274278 16367101 14013596 11660572 4794553 7446710 8150149 2213840 277513 N/F trans-urocanic acid 1067506 708437 27690315 N/F 3463738 1400183 3238288 1153904 3106523 2394144 2178044 3006891 2490977 2108669 1026507 698142 trimethyllysine N/F N/F N/F N/F 17846564 27415928 18487693 7460070 7810756 5577753 14371336 12326762 11782576 4782809 598556 1634764 tryptophan N/F N/F N/F N/F 11686349 13450416 11123382 7492279 7268655 9575195 9593957 9244842 8204101 3614490 492885 489941 tyrosine-13C9-15N N/F N/F N/F N/F N/F N/F N/F N/F N/F 184568 N/F N/F N/F N/F N/F N/F tyrosine N/F N/F N/F N/F 12278779 12987853 9232054 9542502 8413361 9121226 9228279 10017532 9522471 1959215 323181 N/F UDP-GlcNAc N/F N/F N/F N/F 4658975 6297561 3053145 1537400 1925956 1245070 2873332 3058985 3026224 N/F N/F N/F UDP-hexose N/F N/F N/F N/F 47607913 69778704 35646505 26192841 28873685 28340913 35326078 37201512 35340147 12735121 2880223 2836247 UDP N/F N/F N/F N/F 29113209 40665123 20572741 16155339 17994432 18152309 21015033 21913367 23368610 7217798 1206409 929745 UMP N/F N/F 4680498 329294 100900797 150247533 112921752 29393941 40802851 26915656 125986956 69566739 55527188 24214969 5764796 13795612 uracil N/F N/F N/F N/F 7291992 12559256 9815233 348758516 362251913 422834799 168385259 196074225 210188471 37581104 12487887 10691212 uric acid N/F N/F N/F N/F 28313463 48878636 35018424 8065388 8793327 7773124 29364781 21316734 17194901 17056225 10552739 15144426 uridine N/F N/F N/F N/F 244070580 423318655 207702241 199189606 218246356 219118545 222003682 231599891 229664149 86467209 20788294 20814796 UTP N/F N/F 202782 N/F 1041845 1642535 1208559 N/F N/F N/F 346074 517178 580691 204232 N/F N/F valine-13C5-15N N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 166602 189164 N/F N/F N/F valine N/F N/F N/F N/F 23900244 14241936 19422770 12736024 11463990 8527326 20707085 12189714 12533872 10427530 N/F 5959844 xanthine N/F N/F N/F N/F 22702097 46455515 30532097 21402928 22762720 24850994 27812867 25883602 24991739 18643445 12734443 12028409 xanthosine N/F N/F N/F N/F 17259048 29053086 24667616 2791371 1290747 1071000 17991142 10675299 10026136 9247750 4399664 6110801 metabolite_name 2-aminoadipate 2-aminobutyric_acid 2-hydroxybutyric_acid 2-hydroxyglutarate 2-oxoadipate 2-oxobutyric_acid 3-hydroxybutyric_acid 3-hydroxyisobutyric_acid 3-methyl-2-oxobutyrate 3-methyl-2-oxopentanoic_acid 3-phosphoglycerate 3-ureidopropionate 6-phosphogluconate acetoacetate Acetyl CoA acetylalanine acetylaspartate acetylcarnitine acetylglutamate acetylglutamine acetylglycine acetylmethionine acetylserine adenine adenosine ADP-ribose ADP AICAR alanine-13C3-15N alanine ALA_114 allantoin Alpha-Ketoglutarate amidoadipate AMP anserine "arginine-13C6,15N4" arginine argininosuccinate ascorbate asparagine aspartate-13C6-15N4 aspartate asymmetric dimethylarginine (ADMA) ATP beta-alanine betaine biliverdin biotin Butyrylcarnitine C5 Carnitines Carbamoyl Aspartate carnitine carnosine CDP-choline CDP choline cis-aconitate citrate citrulline CMP Coenzyme A CoproP_III creatine creatinine CTP cystathionine Cysteic_acid cysteine-glycine cysteine_13C3_15N1 cysteine cystine cytidine cytosine dATP dCTP dCytidine DeuteroP dihydroorotate dihydroxyacetone_phosphate dimethylglicine dTMP dTTP dUMP erythrose_4-phosphate F6P_G1P FAD folic_acid formyl_methionine "Fructose 1,6-bisphosphate" fructose fumarate gamma-aminobutyric_acid gamma-aminolevulinic_acid gamma-glutamyl-alanine GAR GDP Glucose 6-phosphate glucose "glutamate-13C5,15N" glutamate glutamine glyceraldehyde_3-phosphate glycerate Glycerol 3-Phosphate Glycerophosphocholine glycine glycine_13C2-15N GMP GSH-13C2_15N GSH GSH_13C2-15N-Ellmans GSH_Ellmans GSSG GTP guanidinoacetate guanine guanosine histidine-13C6-15N3 histidine homocitrulline homocysteine hydroxyproline hypotaurine hypoxanthine IMP indolelactate inosine Isoleucine-13C6-15N isoleucine Itaconic Acid Kynurenic Acid kynurenine L-Ureidosuccinic acid L-ureidosuccinic_acid lactatic_acid leucine-13C6-15N leucine lysine-13C6-15N2 lysine malate mannose Methionine sulfoxide methionine-13C5-15N methionine methylthioadenosine myo-inositol N-acetylcysteine N-acetylglutamate N-acetylmethionine N-acetylornithine N-acetylphenylalanine N2-acetyllysine NAD+ NADH NADP NADPH niacinamide O-phosphoethanolamine ornithine orotate p-aminobenzoate palmitate Pantothenate PBG Phenylacetyl glutamine phenylalanine-13C9-15N phenylalanine phosphocholine phosphocreatine phosphoenolpyruvate phosphoethanolamine phosphoserine Picolinate Pipecolate proline-13C5-15N proline propionylcarnitine ProtoP_IX PRPP pseudouridine Pyridoxal Pyridoxine pyruvate Riboflavin Ribose 1-phosphate Ribose_Ribulose 5-phosphate S-Adenosyl-L-Homocysteine S-Adenosyl-L-methionine sarcosine Sedoheptulose-7-phosphate serine-13C3-15N serine sorbitol succinate taurine thiamine threonine-13C4-15N threonine thymidine trans-urocanic acid trimethyllysine tryptophan tyrosine-13C9-15N tyrosine UDP-GlcNAc UDP-hexose UDP UMP uracil uric acid uridine UTP valine-13C5-15N valine xanthine xanthosine