Metabolite_name RefMet_name blank1 blank2 blank3 blank4 pooled sample QC 1/10 dilution pooled sample QC 1/10 dilution a pooled sample QC 1/3 dilution pooled sample QC a pooled sample QC b pooled sample QC c 1M K562 cells treated 4h extracted in 300ul buffer a 1M K562 cells treated 4h extracted in 300ul buffer b 1M K562 cells treated 4h extracted in 300ul buffer c 1M K562 cells treated 4h extracted in 300ul buffer d 1M K562 cells treated 4h extracted in 300ul buffer e 1M K562 cells treated 4h extracted in 300ul buffer f 1M K562 cells treated 4h extracted in 300ul buffer g 1M K562 cells treated 4h extracted in 300ul buffer h 1M K562 cells treated 4h extracted in 300ul buffer i 1M K562 cells treated 4h extracted in 300ul buffer j 1M K562 cells treated 4h extracted in 300ul buffer k 1M K562 cells treated 4h extracted in 300ul buffer l Factors - Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell 1-methylnicotinamide 1-Methyl nicotinamide 2_3-BPG 2,3-Diphosphoglyceric acid 2-aminobutyric_acid 2-Aminobutyric acid 8818512 18122779 50225634 57083338 66291465 40124671 56964662 61909023 36925673 46192161 53738655 58861873 56532663 76718994 39322204 51601972 39125306 2-hydroxybutyric_acid 2-Hydroxybutyric acid 6269027 8494441 12088019 8395132 10535428 11552884 17015076 10908274 8310590 17098650 2-hydroxyglutarate 2-Hydroxyglutaric acid 432502758 486426819 1184182507 2416867824 2833055302 2472798508 2988522990 2603632978 2753227896 2523858298 2110585825 2257041728 2276621798 2218258926 2451667420 2647442665 2593681556 3020777735 2-oxoadipate Oxoadipic acid 2-oxobutyric_acid 3-Methyl pyruvic acid 2443858 3223596 10682950 32481271 28628053 28400924 22641143 37931156 21994184 26304532 22291657 31302946 36671902 29916991 27015987 33321645 25094979 23469795 3-hydroxybutyric_acid 3-Hydroxybutyric acid 7256732 8622411 19488446 50768468 61763583 61154251 56426481 53905971 40916102 54984361 64671916 56485476 44085018 54104594 69810400 61258083 60989877 61031540 3-hydroxyisobutyric_acid 3-Hydroxyisobutyric acid 3020804 3802937 8041997 22978843 24445761 19796032 20962690 23098985 14960786 18972032 26503959 17868402 12715602 25157401 26861356 19792928 23637303 21111883 3-methyl-2-oxopentanoic_acid 3-Methyl-2-oxovaleric acid 196829223 243154457 716271542 1955517864 2199380735 2010113813 1726447746 1862192044 2001676393 2331189634 2304757292 1998898808 1311882173 1916645809 1931336938 1713084327 2306643669 1884568793 3-phosphoglycerate 3-Phosphoglyceric acid 2795758 3608938 10590514 27367055 32984155 30170648 28493287 29792153 24397080 24996757 31425910 31774424 32760032 30757727 30023136 26764738 30102781 33935273 3-ureidopropionate Ureidopropionic acid 303178 642980 1009443 2336277 3063701 2231854 2320541 2911277 2056698 2514779 2558001 3103073 3720867 2695026 3039884 2805369 2032795 2551012 5-Hydroxyindole-3-Acetate 403034 470006 1388827 2936457 2538221 1816732 2840506 1727631 2484575 2294516 1266909 2503581 2588468 2479036 3200335 2498050 2856660 6-phosphogluconate 6-Phosphogluconic acid acetoacetate Acetoacetic acid 3476362 3427496 11263338 33315042 28941787 28994950 23273341 38371452 22504760 27033219 24141836 32036058 37081935 30503781 27710407 33943872 25880928 23940084 acetylalanine N-Acetylalanine acetylaspartate N-Acetylaspartic acid 4305343 5024254 10835571 18632062 21277187 17151291 12168819 14325599 18544142 17601746 16183833 20204940 20898666 18296029 16307537 20292276 20176579 18485821 acetylcarnitine CAR 2:0 282393072 334473812 869686050 2031607697 2148743600 2039995676 2008265433 2152412886 1809913402 2086706223 2016332135 2027647153 2124524562 1996401383 2236458264 1944185409 1895500089 2076515142 Acetyl CoA Acetyl-CoA 563156 698684 1956988 8983783 8771981 8227319 8417837 10627693 7084807 8147786 6620392 7858424 11223282 9575784 8601146 10137215 6466591 7909665 acetylglutamate N-Acetylglutamic acid 1029615 1142973 3031069 4978710 5489226 5213381 1289940 1450144 4716471 5491037 7063256 6495844 7006066 7304353 6389392 6147639 5737053 5995037 acetylglycine N-Acetylglycine acetylmethionine N-Acetylmethionine 647577 425857 488687 1033057 510166 839388 557781 acetylserine O-Acetylserine 5241254 6903341 13099561 23719369 24450224 22837340 10408767 10765825 23296420 19866371 28181426 30758002 32261828 26731454 25935274 28606419 32796290 30656546 adenine Adenine 5338458 2059043 17817271 44125696 14578690 33675973 17729755 25636663 14550442 34067015 38094729 30052736 32142764 31693336 47820598 50186234 28637049 18106601 adenosine Adenosine 1223439 1982267 1028518 2996622 5945296 769521 464698 2521704 433449 ADP ADP 2886487 4017898 10079909 25827162 30764764 27438402 19709821 24307135 22698083 25588413 26736662 25641510 38686106 33816653 34452693 32222109 24119542 24994199 ADP-ribose ADP-ribose AICAR AICAR 113085 143866 413358 1152156 1242697 1190087 2459052 1732116 4902558 4560364 alanine Alanine 106122356 116738459 263872375 699656860 717209879 708814702 677299514 768101048 645857652 635928011 544040624 655131712 766205936 762413138 781785064 691929796 563087954 679445563 alanine-13C3-15N Alanine 63595 136863 1284017 2836601 2788496 2564198 2367685 3350437 2847072 3581968 2280942 2830245 1973512 3061653 1861593 2270249 2662742 2050980 allantoin Allantoin 8822438 9023545 15749332 43340656 41312088 37805624 43939943 40150390 35326108 31516732 38273868 35396590 33697543 42783019 50292780 41216661 36572467 37167700 Alpha-Ketoglutarate 2-Oxoglutaric acid 14607670 36025521 54867686 132674509 69782802 125035283 101049299 89370282 75637485 60671178 73619108 84133741 63548778 47228023 75438895 90624726 85271759 alpha-keto-isovalerate Ketoisovaleric acid 15695078 15591694 50354322 153090123 161100919 150638652 159459763 149940774 136947532 160606361 136073663 129185507 112953000 134030081 165012610 159847470 162508129 157460805 Alpha-Lipoic Acid Lipoic acid 131761 107126 666708 2260061 1738169 2302612 1715880 3267590 1986100 3369197 3694978 2781493 3476724 3222368 2095497 1429825 583972 amidoadipate 4992764 5483655 22531286 42799837 38414640 33148129 27088802 33670913 33989808 35149399 35699933 35485974 34203055 62494853 43187884 44697863 61856370 32564121 AMP AMP 865699 1121233 2398231 8036528 9808595 8130124 5912606 7617542 8283963 7513508 8020047 8786832 10017086 9603101 7006108 7048823 7414238 6981318 anserine Anserine 1994758 3866129 8766555 22088651 27231142 23384111 24467954 24345109 20740073 19426427 19462700 23549808 19925618 23714755 22654128 21694763 19384832 24393164 arginine Arginine 25582882 4423967844 5954088806 10202972960 19504244728 19784335985 20106486105 20415469639 19863345699 18717178694 19137761932 19549201588 20060879708 19060011806 20505045283 23593618288 19871292896 19660420038 20641015524 arginine-13C6-15N4 Arginine 10224294 14516038 21437433 42580414 42828983 45284534 45498812 47840083 43515880 46983137 41712420 46964068 40280374 41404930 38113332 40266930 40503933 42202973 argininosuccinate Argininosuccinic acid 3375446 5110819 8099455 16973968 23153972 20226353 11988432 11570087 17069173 18142742 19096338 19798205 28921800 25660543 26089265 23089952 19638361 22662573 ascorbate Vitamin C 6565139903 7631467920 15433422853 30331083166 33240421115 31970837820 31577664942 34540596178 29677662894 33496776499 31338447087 28236688180 33917903233 31674148031 31446817015 28790265470 30454114796 32920455805 asparagine Asparagine 169189 128210867 180645843 475763928 1228205841 1373886081 1279413444 1301176730 1287785907 1014806934 1314485847 1270224385 1287050037 1249592111 1266906497 1347033422 1213624979 1249206189 1248776693 aspartate Aspartic acid 141286162 180588667 251494300 576583441 631166443 570967713 570480849 575881128 557122279 608552841 622849208 580310866 516315865 600077799 664058868 571371308 616976463 616691414 aspartate-13C6-15N4 Aspartic acid 1304972 1803354 2631161 5140734 6168775 6647988 6280601 6830103 5159490 6354939 5752700 5958399 5183712 6142030 4901447 5850904 5520145 5682930 asymmetric dimethylarginine (ADMA) Dimethylarginine ATP ATP 17565649 24611175 77697428 275062590 363718384 295614341 433156432 501530035 266305695 285027280 273399621 340248026 435698909 267785023 266857456 271933804 237866261 346050598 beta-alanine beta-Alanine 22687880 32064773 84338319 213706698 221166599 204951046 188518643 191395540 179213580 213266724 215499916 230173801 235725462 204948577 185414093 199662744 218675743 223230197 betaine Betaine 899916405 1106965152 2775186095 5871674027 6058683149 6320659847 5324622412 5796714192 5520323277 6404289254 5917449276 5797207220 5131575997 5782266291 6754748270 5778774149 6307785448 5702588902 biotin Biotin 26369877 30663156 57673613 78393346 96277436 91716360 109101066 101771798 80017342 81034688 84810252 88700077 78270457 91432764 109778425 87682757 84138918 87085383 Butyrylcarnitine CAR 4:0 49239196 60672822 167979245 429556368 465195713 437715941 330813204 338398024 327716133 360200611 392136899 374240502 540031413 600810067 599383008 595116354 397614016 393283304 C5 Carnitines 144202814 174596490 498517114 1232932699 1222918078 1182076424 632045804 683836056 1187284262 1297492117 1480857660 1423781999 1100868465 1103160382 880703850 1174004297 1500457259 1534916955 cAMP 3',5' cyclic AMP 250569 850863 441979 715778 722974 880777 1141108 870259 504365 580171 514854 685195 1272893 952933 carnitine Carnitine 557968 347861384 385406200 1018755467 2752722481 2840039065 2648875350 3124384075 3300081945 2502642415 2728474176 2485447574 2734955067 2525815145 2575121168 2638587994 2514258879 2384767515 2677679823 carnosine Carnosine 37066479 58481109 129570724 242016302 255665338 243212961 217826601 203047183 226875965 244853626 255487114 242339432 211680562 257799802 285755775 251620134 254184626 269878034 CDP CDP 77947 101053 315821 908352 1109974 937919 615702 624674 631138 884277 960656 874203 1350367 975586 1385814 894180 1142236 1329626 CDP-choline CDP-choline choline Choline 2098740 2130873 6791752 26388174 29834679 23124885 22404940 24368648 25721139 20671602 21528522 23419509 34491880 33107540 23445821 28557258 14355354 21460528 cis-aconitate cis-Aconitic acid 8213899 11198750 22711982 52863878 59750672 58183296 40335047 49037016 59253166 62165626 64028765 60017457 50519567 55869161 43999823 50598906 58447365 64600237 citrate Citric acid 190211443 230539525 768941373 1502270182 1790932705 1615311590 1382153553 1412829112 1712710371 1691091458 1882557014 1754463964 1368848613 1554680523 1688766743 1526800001 1774769048 1854251189 citrulline Citrulline 353603 818627 54486668 85522582 167712559 324773913 359118815 320616482 362135038 358799489 301624333 304469534 300715442 323430104 286638398 353554813 385947106 337260974 323740086 323991637 CMP CMP 26346 27096 95751 162020 197314 186119 342319 314447 175870 253422 122550 138441 133656 197341 160279 226956 97783 100610 CoA-Ellmans Coenzyme A Coenzyme A creatine Creatine 8104032 4632696441 5231451093 9624924414 20624718537 23334091528 20813231988 18827218121 21726261837 19328698275 18100455549 18317238391 18414240115 24841237089 23364902498 23438396854 21651586276 16680576967 17621104003 creatinine Creatinine 474857540 643093132 1134189831 1208970106 1299468174 1325294596 1370062678 1237496688 1249045402 1254508334 1291287050 1329009425 1049132050 1367565837 1579123814 1311200052 1209403386 1351460442 CTP CTP 731463 992731 3128880 10885023 13046410 11354797 11184952 13454826 9630586 12219895 12855373 14027421 13972746 8768124 9663543 9693179 13957022 18424620 cystathionine Cystathionine 2778235 3376399 9295136 26207532 28465395 28518695 22768982 20265589 27468748 27172931 28370147 28793607 24988182 27275925 28494692 27886978 32407442 36279080 cysteic_acid Cysteic acid cysteine Cysteine cysteine_13C3_15N1 Cysteine cysteine-glycine Cys-Gly cystine Cystine 141115773 217453139 489844708 903428654 1377832577 1069346380 1619765663 1751080018 1036132667 1093344621 900105321 1041340754 1145535802 991035669 1078612992 986663448 690903361 939963611 cytidine Cytidine 1335056 2000919 6244270 17308576 19319172 17734847 19513752 19385751 5850872 7142574 6795027 8272796 35048229 32840435 33880454 32602422 4534418 5471883 cytosine Cytosine 1893234 2948187 3419278 6593012 5319161 6596354 3464760 5578191 6381330 6501803 8167353 7877326 14414637 6782436 5061059 7422988 5909828 7407094 dATP dATP 90908 115210 762719 3302319 3295386 2927127 1773830 2149283 2681339 3215716 3000971 3557817 5031331 3289024 3198027 3781018 2723234 3960058 dCTP dCTP 108214 514424 683289 633072 272304 402621 602798 632913 670683 809826 843587 577383 515500 577929 589971 1014276 dCytidine Deoxycytidine 1976446 2746980 6397232 11712276 13490145 11893095 9654261 9716316 6637001 10671245 9384545 11008240 11020211 10749254 10617241 15152851 8333417 10941644 dihydroorotate 4,5-Dihydroorotic acid dihydroxyacetone_phosphate Dihydroxyacetone phosphate 1703965 2533517 7761916 20447164 23226340 22830173 15106279 12331925 22693108 17843839 19864666 17757389 19516308 27076406 31117987 31546835 23626613 26939776 dimethylglicine Dimethylglycine 9482696 12826457 27167846 56361071 68806758 56347984 70050267 87944688 63651343 49698065 82960875 65642223 58547742 62523485 77162709 66435940 54833227 61000942 dTMP dTMP dTTP dTTP 644187 1185687 621810 170097 382858 279181 603346 549901 137386 115505 242802 402144 479794 225590 205925 457737 283676 408864 dUMP dUMP 238297 327085 erythrose_4-phosphate Erythrose 4-phosphate 339833 885586 918546 1038692 1021224 802792 1008294 1451797 1028000 1021217 702896 557224 929037 F6P_G1P 1766147 2282655 5097345 14036028 16375468 14758203 12559561 13188804 14071038 16226910 13365045 14219425 20391567 18705951 16737268 17268859 11676203 13750452 FAD FAD 102926 933177 folic_acid Folic acid 3239137 4391560 9546434 25833791 28977607 25133156 28111495 28758235 24625060 26411073 26273330 26502333 22757361 28042400 34232498 24878553 26601063 28089180 formyl_methionine N-Formylmethionine 378984 666847 1628327 4078984 5258990 4252025 2528391 2616673 3646838 4439589 5414530 4805056 5442820 5484838 5258029 4441616 4367090 4684051 fructose Fructose 10237405 10553497 15168747 56514783 61632007 42738115 52664014 44810871 56291654 47507454 52322086 48686050 50905853 60041993 65629420 52957237 53481359 63112456 Fructose 1_6-bisphosphate Fructose 1,6-bisphosphate 2502957 3232252 10288174 39506146 37549519 42154855 17269611 19467325 28224614 31168200 39825742 36609386 63516788 60076861 61703434 57040329 34564716 35540037 fumarate Fumaric acid 5560588 7981167 17451226 38379967 43137614 35633629 20102140 21922265 34982028 35209400 50445150 48555795 30353805 40494464 43569972 33012051 51028225 53478040 gamma-aminobutyric_acid gamma-Aminobutyric acid 13877407 22027657 53222147 146253044 157237976 148787177 118024263 132559733 107000400 139697837 138701738 141228994 196395204 176154138 153222516 166913479 134687897 148489685 gamma-glutamyl-alanine gamma-Glutamylalanine 1127304 1705867 3862622 6348603 5877126 7884373 10799375 15949187 12459169 14772605 14633373 12869618 8117354 5766208 6275993 6145788 4758099 5779385 GAR GAR 24018 23872 39511 141353 184865 247579 297603 246561 794209 936318 GDP GDP 209139 259186 677367 1766073 2132313 1840728 1489703 1918738 1519119 1698516 1691871 1704437 2971938 2058604 2355180 1912923 1726931 1769706 glucose Glucose 74732895 99889496 167740743 288400838 440027583 319838185 399248591 346167693 305942322 307645378 261101235 310157288 251182003 370470626 323100689 332397068 385857557 341402185 Glucose 6-phosphate Glucose 6-phosphate 2132636 2691536 6759832 17620615 19820439 18967052 11594037 11902126 18788938 22289542 19590606 19368562 24555543 21923090 21251361 21078514 15882506 19562417 glutamate Glutamic acid 367766509 464586400 913443083 2036420150 2260101706 2076957055 1491984870 1638675929 2138340240 2316587751 2344069569 2249458287 2077690678 2152254064 2249050014 2129126902 2316438401 1861572358 glutamate-13C5_15N Glutamic acid 923873 1399539 2454073 6484992 6722319 6796975 7008775 7166251 6592324 6852327 6555202 6562938 5095262 6806697 5538665 6574433 6840740 4320066 glutamine Glutamine 4061536 2966509124 3861915297 7493421839 14519170884 15472840011 14998315697 15803300027 15803358006 13547244232 14961470537 14911621200 14987190993 12885013785 14744029643 15457365896 13989724740 14114594548 13486093143 glyceraldehyde_3-phosphate Glyceraldehyde 3-phosphate glycerate Glyceric acid 40480985 49644521 120294189 366010301 393679653 350244399 349979777 428086816 282768226 315684987 318384837 384486163 333090312 350475796 369172492 365709861 280926088 324145471 Glycerol 3-Phosphate sn-Glycero-3-phosphate 2823529 3275072 8682196 22257509 23532949 19414334 9517347 12191438 23914663 29022133 24050733 24026541 21966162 23460167 23196900 23107365 22882765 22071832 Glycerophosphocholine sn-Glycero-3-phosphocholine 195073 1545829 135458 701886448 915856723 2064974009 7411421365 8659106331 7218114895 6421819313 7078918174 7172260747 7310167280 6308772663 6618606697 10012360484 9436513420 7013439849 8656275650 5348040028 6271578419 glycine Glycine 7139644 8844280 24968558 66452856 79855805 68521170 71127196 70658388 62801920 76391264 67782884 68798518 59042651 66265617 68563288 66749144 66122740 66992176 glycine_13C2-15N Glycine GMP GMP 66443 115724 256043 745954 976115 720647 802770 874625 511037 589325 597171 615334 1150761 936264 897602 915439 623381 683610 GSH Glutathione GSH-13C2_15N Glutathione GSH_13C2-15N-Ellmans Glutathione 3535229 4581920 GSH_Ellmans Glutathione 25197657 37160089 156765538 486282097 463797097 446242368 103195031 163977545 554155089 476707253 686394356 615260930 549019960 463544803 469061869 459266639 633832000 646256377 GSSG Oxidized glutathione 747455 1013623 3076358 9996160 12321416 10911537 18984052 22289172 6494487 15004824 19335385 16173765 7739935 6777544 8757253 4948485 4762796 8229227 GTP GTP 813063 1390313 3662136 13170419 14647042 13084876 21973226 28193238 11380201 12784339 11683341 13272999 23235553 11194650 13374992 12288283 10017299 14591024 guanidinoacetate Guanidoacetic acid 47435 1882911 2486602 5688468 10996759 10732137 11765816 10291596 12237749 10226674 9771651 11679212 10545199 7659309 12601839 11816072 11154889 10549115 10810972 guanine Guanine 2471445 2278783 7608290 13987367 9987677 11851478 9171802 10756636 12684401 17220296 5774363 6069522 16242771 15794038 14401371 21748253 3793913 2442425 guanosine Guanosine 165324 623947 1778512 1353588 2172246 3017181 2046817 1220681 1248124 566606 871217 3047999 3115272 2216617 4503238 344573 histidine Histidine 1156628237 1512448585 2960556013 6076900875 6185566709 5852338187 6159345367 6499017661 5216474019 5122292714 5390883245 5704307073 4632893912 5263220297 6804747348 5889817648 5383874338 5510490983 histidine-13C6-15N3 Histidine 21202258 22721892 51262590 117515905 137115453 116696212 126793273 141861224 124640404 118115629 125040039 132843331 99295084 125775787 103411154 103454773 106968846 114063481 homocitrulline Homocitrulline 3204684 4599023 10217745 20501421 24081061 21603456 20617206 23312182 19729627 19955178 21487662 21130823 18458447 24117637 25686568 22138924 21799349 19819347 homocysteine Homocysteine hydroxyproline_gammaALA 50433415 65145692 127569452 183153842 192989228 193854213 227824083 192444759 217641946 165966569 163983275 190107363 180391484 182282597 167503536 181471840 182934683 182613431 hypotaurine Hypotaurine 7094089 8656506 25884841 67524523 69397888 70567993 81384017 64778354 78326077 72986139 63094874 57979069 46616886 52469146 54458844 59625822 85524424 80280662 hypoxanthine Hypoxanthine 29958019 34427099 78181286 127209539 140930307 136248633 321854363 256391028 144650958 195658652 21783392 26330321 121237024 160099983 92340246 203521988 6719019 8030981 IMP IMP 259425 288554 1160702 3365149 3351503 2801207 2806714 2343280 2371770 2280873 3473024 2706543 3842108 3462173 3522877 3587161 4182397 4380343 indolelactate Indolelactic acid 281129 526895 796052 1085476 409273 998031 387382 264340 755134 940285 798727 699881 1042551 1284838 840997 856861 1016635 inosine Inosine 110802 1095508 1512141 3988567 11518095 12155894 11235610 27726287 27285027 4199187 7864167 1691185 2032759 11287459 13881900 17669665 15026070 687695 937845 isocitrate Isocitric acid isoleucine Isoleucine 520395 735445877 940381737 2460182374 6563690815 6931787979 7119534080 6081114796 6714240043 5578027463 6989769138 6028419373 6478018137 5905705301 6818417479 7866982892 6362219836 6795332660 6421137060 Isoleucine-13C6-15N Isoleucine 7613077 8659957 23653348 58719809 59599906 62949317 55281025 63705335 55235995 68150734 57066230 61872064 52740778 58167571 55829523 53246577 62159268 56668661 Itaconic Acid Itaconic acid 299351998 470661951 791693144 1742229850 1986685127 1890470445 2135636343 1966716856 2033354846 1896782696 1609232848 1667834696 1686211226 1598811101 1769045821 1958924157 1898807003 2211824782 Kynurenic Acid Kynurenic acid 3169248 4479395 10062450 17604509 18118433 15700250 13507988 15569327 15835222 17156939 21046918 19975262 20256858 22758636 24306452 20462517 21333712 22128653 kynurenine Kynurenine 8302111 10847821 39096724 114169427 126256493 114480173 114849612 111799166 106206523 104982805 110463891 108362273 101815278 115378307 129964093 111414541 113249216 129630774 lactic_acid Lactic acid 2438677620 2732787441 7668187641 18879955275 18920186683 19041447850 11630800073 13508506561 13515222274 16285671715 19340989052 16679520269 15643463897 21332547417 26470453298 19056898941 18867695208 16076964863 leucine Leucine 740918325 882354372 2780242453 7540566891 8265247568 7437104863 7903240624 7909223341 6560121363 7582679664 7352140680 7185880749 6381870301 7758876490 9074614971 7498717351 6977873887 7978675553 leucine-13C6-15N Leucine 7324328 8964860 27187132 66211835 72679263 66196228 67992525 73796982 63153020 76369736 68693318 70774629 56044072 66315928 60658959 63199993 61827358 69254124 lysine Lysine 223356506 415281903 840765946 2256204896 2558941807 2330528253 2534311670 2503926208 2026772689 2269219395 2286645141 2183667165 2346199183 2484651418 2752357803 2286116372 2240115022 2487069337 lysine-13C6-15N2 Lysine 2109090 3924859 8559059 23432545 25489087 24028133 26573987 27530482 22502999 26714080 24234181 25258512 24175443 25034755 21113940 24457776 23171052 26615140 malate Malic acid 97588938 114949672 217750020 456924280 543954972 484196658 275009554 280183914 455939026 524248791 639054565 594933909 430275862 456485345 485586428 377801961 617909245 651845324 mannose Mannose methionine Methionine 449305341 566515603 1583764231 3314166936 3361570733 3315247561 3479962820 3213363168 2831531205 3294393587 3128456342 3043340539 2720764620 3369091542 3954561774 3455354819 3150612761 3324650782 methionine-13C5-15N Methionine 9334733 11530752 36165737 74902705 75017213 74474163 76479624 76693739 70103454 81941133 72304816 77674349 60267639 75876033 66311155 75166390 72737496 75086888 Methionine sulfoxide Methionine sulfoxide 342104 21185844 34522375 102057173 362950449 409992194 376731824 397623406 424021468 284519452 299661969 308222912 363895357 340813081 353610799 410151330 333363182 274557431 334528681 methylthioadenosine Methylthioadenosine 42035045 50717622 110068025 219495620 235868722 242291234 64861821 72063700 184043884 174077412 284728027 262454505 377950500 413903141 492861298 378972618 413019957 421990382 myo-inositol Myo-inositol 70292040 90116202 211618967 584280332 991049857 731124130 716312874 804626400 619029505 742169695 723339569 742224076 758221353 766790193 717670405 611765949 727525113 791061744 N-acetylcysteine N-Acetylcysteine N-acetylglutamate N-Acetylglutamic acid N-acetylglutamine N-Acetylglutamine 1312044 1200621 3764523 2998273 3734905 5778177 2542720 3055480 4122740 4653066 3991923 4104853 6367420 3958939 3123603 3895046 4536917 3091121 N-acetyllysine N(2)-Acetyllysine N-acetylmethionine N-Acetylmethionine 487192 1004937 378083 863478 557781 N-acetylornithine N-Acetylornithine N-acetylphenylalanine N-Acetylphenylalanine 615237 773640 2172786 4720839 4497972 4469621 3810489 3858399 3877167 3988589 4377579 4817485 4641699 6194157 6852959 6041484 5827529 5500719 NAD+ NAD 30516460 40847478 101833720 278986536 307232498 282476496 160987706 188594640 276076944 299790187 305185162 314645053 322054520 311580878 261297112 283870476 288011929 313962425 NADH NADH 1167489 1728048 3535693 9163590 11620125 8302635 5528512 6142359 9815246 8633167 8732823 9809751 11837404 12377766 9776183 10778974 8152853 10504969 NADP NADP 550609 737218 2486591 7194908 8885593 7515948 9297701 10949732 5991078 8066968 7724076 6739600 9288972 6650452 7898946 6837560 7889878 8786576 NADPH NADPH 571437 761498 1955801 5370037 7237589 5641331 18530921 21759088 4590319 4872798 4165750 4981401 2920988 3349510 2201775 3272829 3117168 3905335 niacinamide Niacinamide 152215185 186956325 525213905 939021201 891815222 975619142 1050456688 1098707900 1103793826 1249143403 1441282431 1342256655 854502010 1076288901 1145218751 832366311 913106912 1002276538 Nicotinic Acid Nicotinic acid O-phosphoethanolamine Phosphoethanolamine 1019723 1170702 3178406 6882620 6262049 6330069 4615337 4850934 5382537 7141789 6047351 6572837 12284536 11615804 9402490 8635032 4062715 5648864 ornithine Ornithine 42349380 78180129 111618350 220436670 250851006 235343995 267743207 250416069 234472363 226744858 211397910 229193509 219750197 233850935 216472499 225712870 214750545 243445930 orotate Orotic acid 457128 4578191 7507142 14921789 26007090 24425034 24204244 3691439 2952155 26040884 17905201 56852784 47224956 4745803 5864096 7868429 6385057 53216778 52313042 palmitate Palmitic acid 10105942 11207154 28315384 62911822 85205567 86036610 163106777 90498311 79484885 90088552 76425345 99751004 35523729 120352275 46001952 74821808 68302388 103401810 p-aminobenzoate p-Aminobenzoic acid 3715166 4589643 15581618 37354305 44150994 35992516 51576335 49209791 27542109 31992345 32652468 30870890 26508509 33126813 47618052 42221654 37522852 33883660 Pantothenate Pantothenic acid Phenylacetyl glutamine alpha-N-Phenylacetylglutamine 243525 1296623 1559242 2011162 513969 1023892 1106739 1743759 1754528 1923831 4281305 3544466 2712664 3079552 3841752 3489117 phenylalanine Phenylalanine 201541197 260455447 679494969 1403160744 1479659473 1163790170 1303465652 1361117364 1231549244 1279524361 1467393607 1149584836 1159679550 1225069192 1643652206 1417379003 1157401087 1489972117 phenylalanine-13C9-15N Phenylalanine 16832899 20663933 64811730 161630376 167096395 157998146 168047260 173116834 170745335 162239081 154416334 180154742 128208265 161128353 148348877 160297709 158290426 155346935 phosphocholine Choline phosphate 1524553 1577019106 1989758203 6734972413 16504965584 17499482828 16420593260 13488224046 13905281436 16487417568 18127696766 18342723229 18457673963 17703096689 16109646800 15748010615 16519310060 17069149220 18093394553 phosphocreatine Phosphocreatine 158988163 182717346 512459603 1447004441 1503146408 1449313666 1411962282 1595987496 1382407792 1574932368 1616756211 1538517168 1261224167 1281795797 1234696677 1254467465 1547142557 1546500628 phosphoenolpyruvate Phosphoenolpyruvic acid 1514189 2951725 8167802 16915722 22171198 19116649 21811668 20316645 16879481 15077063 19041957 20876684 17161546 20263948 14723716 17835212 19947810 22447111 phosphoethanolamine Phosphoethanolamine 137204 phosphoserine Phosphoserine 205895 920083 1235123 1811169 1955461 3493109 3888217 4425359 3685337 1013553 1430395 1217614 1066274 2525718 3179973 Picolinate Picolinic acid Pipecolate Pipecolic acid 5196372 6776978 17059673 53908675 66386331 62774418 61068872 67392547 43433014 59845884 58579095 65085870 60686202 60789065 73383875 61817814 58357146 61775621 proline Proline 1199954 2396796 1815416672 2078356891 5710439802 12241087737 12550708869 12421883548 12556872868 13730820922 11164735379 11077863255 11656037348 12688402346 11844924907 12754071019 13031797943 12846342410 11025141586 12884117948 proline-13C5-15N Proline 22959833 24656874 66310682 141124774 137020569 142167321 135992823 147557155 138313449 134996348 132119233 156615035 120531376 139615789 118824291 137064164 128594244 143313382 propionylcarnitine CAR 3:0 61292303 72772570 149393357 255337245 267472330 270679430 193047933 179627653 252991404 289470297 300940070 294799385 252439000 282704635 307320983 319081209 281602025 323002326 PRPP Phosphoribosyl pyrophosphate pseudouridine Pseudouridine 2117496 2587833 4989743 11378836 11048899 10721731 11395059 9928464 10467378 9366714 11074865 10570369 10250990 12427025 14013270 12370919 11917864 12221822 Pyridoxal Pyridoxal 6269620 6373914 17002724 35660500 31939491 33157243 49525959 29769702 38648392 30114063 31007925 28129225 21450668 33512364 40113148 39395870 41950030 46710302 Pyridoxine Pyridoxine 334059435 408425720 1019191037 2407965099 2518848711 2386934816 2355351195 2422298778 2158177597 2353839023 2528245430 2465720177 1963566174 2556803410 3056069705 2480291681 2615514191 2567056295 pyruvate Pyruvic acid 32057442 33510054 69279925 102566155 73594318 98332229 125875843 67248257 120767942 93444935 98045346 80274200 39983804 60605278 96608941 112627632 136101157 168329614 Riboflavin Riboflavin Ribose 1-phosphate Ribose 1-phosphate 607170 801826 1999080 5457313 6549747 5949672 13578071 12147575 4319487 4101986 4541534 4431783 4289895 4615039 5005237 4676611 4884436 5251178 Ribose_Ribulose 5-phosphate_3Me-Lys 607170 801826 1999080 5457313 6549747 5949672 13578071 14963942 4319487 4101986 4541534 4431783 4289895 4615039 5005237 4676611 4884436 5251178 saccharopine Saccharopine 745623 856526 538079 596848 552055 583838 742677 720963 725271 880051 S-Adenosyl-L-Homocysteine S-Adenosylhomocysteine 419999 648007 1982138 7145062 7569210 7052428 6577054 5991670 6271591 6798900 6191048 7972271 6817405 5546465 10124238 5973807 7005658 8387660 S-Adenosyl-L-methionine S-Adenosylmethionine 92310045 138208974 243084072 396927767 449486661 427463902 1054816013 1025216281 237189616 256483458 216221518 211411331 429304487 409612166 328486695 415414814 201453884 222771615 sarcosine Sarcosine 783592 921827 2313857 9688843 7700200 9198427 9275216 10759430 9822842 7486086 9747091 10907594 8384052 9190525 9086297 9762054 10249542 10057760 Sedoheptulose-7-phosphate Sedoheptulose 7-phosphate 1233365 1929520 4215848 11292579 14250850 11737262 11219773 11408666 10298554 11136203 10358144 11702995 16630798 15377615 13792108 14368941 9739978 11732734 serine Serine 32728809 44108756 125304081 321471804 395852621 347841239 373576569 356068064 294846075 360156062 347812689 331227073 278934710 366681139 372349174 341963005 336724815 327376649 serine-13C3-15N Serine 123340 88049 325582 1811373 1308056 1537280 1251561 1595385 1070261 1324613 1906129 787829 664925 1341020 917056 1333826 1187199 1154078 S-methylcysteine Methylcysteine 113137 157994 657537 4145480 4125703 3774300 4342079 4020405 2561192 3584797 3550483 3583219 3042244 3713596 4710296 3528401 3733205 4149150 sorbitol Sorbitol 220889 60508584 65722216 140083070 500631043 504911054 484257976 546814348 540721163 436737057 403080044 495148485 530370488 441763223 488921958 631531998 503281260 508678652 591840114 succinate Succinic acid 29043892 34528826 116827795 313753426 361751093 264547702 324854020 260719566 263949078 258700403 256448125 299249523 234567849 334385160 386768443 312293226 328971299 352698201 taurine Taurine 1361484 178045169 215650406 538906383 1235312455 1355051845 1298504117 1301132924 1248826579 1194792089 1317284789 1407450720 1095696592 1204110774 1214739294 1239935887 1186395854 1317164989 1410939099 thiamine Thiamine threonine Threonine 136073826 163164672 525248002 1318744888 1649843238 1372458803 1464065910 1787252106 1376285211 1326013360 1169474645 1278074163 1534420746 1387675086 1444414008 1233204325 1191508072 1410507786 threonine-13C4-15N Threonine 1547368 1610675 4700897 12736765 14983618 13462116 12802026 16220827 14103011 13225318 11490486 14359109 14181271 13209033 9681351 11194627 11177296 14429568 thymidine Thymidine 87546 113162 206054 510887 512969 596569 704267 743734 413927 647168 513791 451967 523296 692183 681489 612105 308833 376244 trans-urocanate Urocanic acid 14338329 18780739 51635627 114294591 117346733 117587165 150791211 97956474 99233929 103952402 110801741 117321978 91513174 114722562 137041728 124254462 123403104 111257953 tryptophan Tryptophan 164463054 208186118 627379513 1551637106 1666790710 1524195022 1614343478 1582738856 1303855818 1557427586 1483478237 1410136026 1321489190 1610806674 1841353369 1581496338 1476752800 1559081468 tyrosine Tyrosine 331315547 379384396 1127585834 2718846353 2902543816 2813332306 2815113446 2938268041 2468313005 2453573384 2800838643 2675529718 2396259949 3065915728 3275676482 2831706283 2463378673 2917210434 tyrosine-13C9-15N Tyrosine 5661307 6688990 20984199 51816336 53208592 54145368 49817240 57243914 53437207 51355290 54147320 56879761 43565161 56678285 47789071 52343001 47320762 56201231 UDP UDP 374183 532248 1285918 4117021 5298303 4933767 2594190 3098618 3478950 3663364 5286191 5329788 5334153 4034492 5721321 3784704 6246243 7526480 UDP-GlcNAc UDP-N-acetylglucosamine 11528283 15950180 41535670 106058743 129739919 111810772 76786522 92976023 109895883 129629598 116889757 120273472 140074569 117616510 101058536 120535044 112059581 117372906 UDP-hexose UDP-hexose 4921349 7782506 16488473 50779374 68852285 56426948 89594800 94692078 40504633 45778366 47525449 52467194 55859205 46791954 44270428 44715880 58231484 71255199 UMP UMP 122202 203844 483996 1234238 1638401 1395898 1321167 1496082 1071257 1115354 1373958 1283908 1541496 1371229 1495335 1262078 1574518 1605048 uracil Uracil 2080943 9291504 21990434 38541811 26707038 26266877 27505689 21419888 25301933 22152403 21844690 17339087 28916979 36432582 26199415 23535327 22128878 Ureidosuccinic_acid N-Carbamoylaspartic acid 1337060 1587001 2265332 5040548 5223006 5368239 3522462 1911751 13939742 13989515 16445954 17496914 uric acid Uric acid 35980618 44986403 76867924 188675509 196926346 183918741 203658019 205178351 166709238 145688625 176794105 200775868 163750600 178355445 227577241 180096673 183537234 213200086 uridine Uridine UTP UTP 2793065 3811215 11253219 39400037 47411058 41003969 41117595 49667699 37199920 42492919 53626540 57233333 38885647 26231317 27694856 27232309 58548469 82055830 valine Valine 193799746 248150088 674140100 2099376620 2429124590 2152970359 2456368321 2415726663 1768564705 2140708507 1873433506 2053445643 2259711933 2203306335 3184791920 2507278811 2237739524 2438596351 valine-13C5-15N Valine 1639494 1576171 8056849 25443670 28240473 25637372 28898145 31258068 23200483 30164703 24914538 29157150 26227504 26164854 30237088 30236857 27423751 30006756 xanthine Xanthine 26652416 31561097 56336106 129094563 128194253 119519067 120451849 114095015 114762718 102788852 122696789 122598568 100292173 108694348 137640875 126703173 120786431 137726662 xanthosine Xanthosine 179836 215400 493156 1627853 1886045 1586023 1718514 1807194 1445503 1286812 1357221 1582128 1352731 1778476 1930864 1494381 1357407 1521330