Metabolite_name RefMet_name HT29-TX08-1 HT29-TX08-10 HT29-TX08-2 HT29-TX08-3 HT29-TX08-4 HT29-TX08-5 HT29-TX08-6 HT29-TX08-7 HT29-TX08-8 HT29-TX08-9 HT29-TX05-S-1 HT29-TX05-S-10 HT29-TX05-S-2 HT29-TX05-S-3 HT29-TX05-S-4 HT29-TX05-S-5 HT29-TX05-S-6 HT29-TX05-S-7 HT29-TX05-S-8 HT29-TX05-S-9 HT29-TX05-E-1 HT29-TX05-E-10 HT29-TX05-E-2 HT29-TX05-E-3 HT29-TX05-E-4 HT29-TX05-E-5 HT29-TX05-E-6 HT29-TX05-E-7 HT29-TX05-E-8 HT29-TX05-E-9 HT29-1 HT29-10 HT29-2 HT29-3 HT29-4 HT29-5 HT29-6 HT29-7 HT29-8 HT29-9 Factors - Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control 2-AMINOETHYL DIHYDROGEN PHOSPHATE;ETHANOLAMINE PHOSPHATE Phosphoethanolamine 458781 3280086 380225 399438 2289542 599414 696547 505591 2802378 3647188 68658 49363 26410 70758 82772 62657 37936 73990 30964 71626 574196 485989 428743 459746 356079 419005 629465 384731 567032 498268 3161406 509838 2403085 546671 586616 545950 3387633 736148 3212875 246111 2-hydroxyglutarate 2-Hydroxyglutaric acid 125181 206959 101460 109362 132312 248857 176275 154814 313120 263489 455529 429211 237605 305383 413036 461617 348601 547041 343808 364227 170782 399875 225397 225403 131727 215812 157992 147752 341573 331109 315651 165884 144355 157804 165283 147438 338663 260368 269946 141792 3-Aminosalicylic acid 3-Aminosalicylic acid 103336 87168 103225 84660 107311 96808 93783 82146 76331 80342 50156 98300 56531 94707 62028 77759 104140 97779 104296 84836 96398 92164 79648 78315 83990 69007 97180 101257 93917 78519 89363 80856 89543 80613 77907 93062 73612 88739 55006 67967 3^-CMP 3'-CMP 70906 42404 64783 56275 29086 49001 55506 105409 46223 55522 75291 76345 150549 68764 77179 82913 138612 175912 149977 70841 56906 65831 67129 57907 56894 90003 73220 61996 75070 70034 52111 65761 12653 47205 56654 43571 41010 56222 53772 56871 3-SULFINO-L-ALANINE 3-Sulfino-alanine 147774 148289 173644 129520 175112 142483 213627 149455 152139 163586 212470 338836 179540 239816 200790 213253 177435 303403 238739 212319 141368 136154 168705 182931 160907 149652 141234 166178 157999 77900 252030 172249 169568 151128 148094 191347 315553 150802 237160 122979 4-oxoproline;5-OXO-L-PROLINE 4-Oxo-proline 10300000 13000000 5333308 7769534 6971805 8347217 10700000 13500000 16500000 15200000 16200000 18300000 7587859 13400000 16600000 17200000 8837357 17200000 9731873 14600000 9928253 16000000 10800000 11700000 5915766 11400000 9490728 6268848 14900000 15100000 18500000 12800000 7952333 12600000 9865907 7877400 16900000 15300000 15600000 6742623 6-PHOSPHOGLUCONIC ACID 6-Phosphogluconic acid 5678869 9404543 4963887 6471441 7112035 3916399 7063468 5928347 2821931 6920435 8528473 10000000 4547973 7049534 6852071 4628508 3976163 4497353 5611697 6988857 8298936 9435437 9975036 5587344 7566937 10200000 10200000 7590630 9507970 9754690 4412964 4477748 2672254 5120832 6507468 4161616 3630788 5339573 4237117 1993116 ADENINE Adenine 4866527 3045237 4726074 6784755 3660663 5693796 9419021 7850112 3655606 4044734 1637950 1699622 1142561 1287081 1455840 1395826 1115041 1774430 1556909 1444680 5749052 2772902 4586496 5193580 6211441 5507052 5493521 6294468 5067468 4800871 3978199 4949059 5563044 4967704 6890070 8032184 3952093 5252996 4505865 7495253 ADP ADP 7092663 10600000 1921112 1938813 4054110 2878722 3079016 6113970 17400000 17300000 7945549 7530615 3956022 6518522 8336870 6824671 6037613 13100000 5204064 5938666 4848381 16700000 8328911 9433094 1480982 6137958 4339311 2633830 10900000 12100000 21300000 10100000 4454461 7992831 4798049 3942942 18900000 11600000 13100000 3269358 ASCORBIC ACID-2H Vitamin C 36937 38368 47983 35032 49759 526086 105616 43948 49108 50201 65490 55476 39567 64287 64414 57650 36999 56961 52889 61798 47762 57026 70852 42988 43335 65437 54682 17158 46731 49777 62917 60211 41158 49748 52482 50056 56590 50654 46701 58483 ASPARAGINE Asparagine 2534462 2607294 2296783 3505288 2651740 2585224 3804465 2211554 3419261 2757733 4765647 4835271 2719105 3848377 4265496 4477147 2764650 3936552 2956794 4025613 2720173 3005497 3157855 2678039 3235679 2304045 2846964 3300158 3082671 2989464 2587226 2591129 2428757 2187742 3004018 2744744 2581272 2719564 2583761 1985720 ASPARTATE Aspartic acid 26600000 29200000 14200000 20400000 18000000 16600000 28400000 24700000 41800000 38300000 38400000 48500000 30100000 36900000 41900000 42200000 29200000 56400000 36900000 41100000 21100000 36300000 25600000 26600000 13600000 21200000 22800000 17900000 38000000 32800000 38300000 29800000 24700000 26100000 24300000 21900000 43000000 37800000 37500000 16600000 BOC-L-Tyrosine_R1 Tyrosine 152000000 158000000 144000000 143000000 146000000 156000000 157000000 147000000 147000000 152000000 143000000 158000000 153000000 153000000 146000000 157000000 144000000 147000000 152000000 154000000 149000000 148000000 152000000 149000000 148000000 151000000 150000000 151000000 152000000 147000000 144000000 148000000 148000000 148000000 147000000 153000000 150000000 157000000 149000000 159000000 BOC-L-Tyrosine_R2 Tyrosine 107000000 102000000 105000000 98200000 106000000 107000000 108000000 103000000 99900000 104000000 105000000 107000000 109000000 109000000 110000000 106000000 105000000 102000000 107000000 105000000 105000000 106000000 106000000 103000000 109000000 108000000 104000000 104000000 106000000 108000000 102000000 105000000 102000000 108000000 106000000 108000000 105000000 108000000 105000000 109000000 C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL-GLC) 672046 942901 37600000 636622 603695 430863 754399 729239 717168 764539 3017491 982426 843587 1146769 856777 20000000 710710 833115 700621 889938 633935 689609 655126 1429430 700602 797188 770634 351403 618560 598583 643950 837157 454745 597227 913432 793894 827001 1117597 655674 585820 C5-SUGAR ALCOHOL Dihydroxyquinoline 104208 81408 82639 101875 40058 62327 73533 73879 89458 70672 69379 87392 57204 66473 72974 26970 24738 27981 30017 47875 109768 66471 120864 90460 143522 71172 112904 88898 71875 33390 66468 66816 59709 78847 77965 86332 65317 72596 67048 113852 C6H12O6-HEXOSE/KETOSE/INOSITOL Hexose 2548238 2580239 2916884 1888492 1636371 2261053 2593636 2011760 1384948 2462319 2591586 2692952 1760457 2445907 2396769 3253336 1613051 1804571 1931330 2292673 2584186 2422837 2415349 2736718 1464932 2078368 2798675 1741573 2365179 2346551 2121802 2686426 1805917 2629786 2492930 2277181 2379128 3261226 2355799 1048317 CARNOSINE Carnosine 159156 17091 109500 158884 17891 116115 155191 148811 85356 95976 347596 101955 117691 285691 393039 342444 84266 154102 73513 32932 151285 164311 154075 127347 150814 99647 23844 71001 136656 16882 143078 136256 148445 33476 171178 29835 162128 CITRATE Citric acid 6573960 6398065 4902730 4264710 4498129 2417201 6096485 9660760 7868593 9084998 12800000 10300000 6882881 9263418 13000000 12400000 7842221 10600000 10600000 9488690 6181545 10700000 7527163 10800000 4202746 8231018 6041088 4190713 9511699 9799509 11700000 11000000 8588577 9140754 8934615 8117480 12300000 10400000 11400000 5060122 CMP CMP 4623985 5029179 3034721 3449927 3565830 3586026 4196519 4810143 4947750 5505881 3426013 3423338 2037481 2465161 3567362 3351458 2031808 3995979 2655698 2886249 3690410 5469863 4524205 4401419 2793485 4302016 4612196 3554607 5597166 4957396 6442590 5220962 3858835 4822269 4838437 4290803 6669999 6053690 5707327 3647421 CREATINE Creatine 6459796 7094717 1888743 3165292 3192821 4943922 5472065 7052069 9880719 8986463 11600000 12000000 5840367 9250378 12300000 8568645 6618009 11000000 7634456 10600000 5691406 8517226 6599325 7484940 2520982 5861241 5955747 2915748 8950624 8180574 10100000 7763087 4476853 7222338 6182005 5870470 10200000 9990664 8955276 4022828 Creatine-D3 Creatine 2172279 2140935 1512262 2393640 2582007 2110317 2553268 2202538 2183582 2037857 1913984 2126526 2267377 2143423 2053212 1491798 1981487 1626571 1886531 2106645 2161518 1746147 2126984 2075160 2437585 2040881 2236944 2360204 2576619 6510880 2003584 5084943 2340670 2277834 2485870 2411871 2009478 2127067 1983638 2558604 Cyclic ADP-ribose Cyclic ADP-ribose 241250 390331 116974 133891 118070 180092 169070 242969 342497 311233 331205 306575 179916 236585 307496 328871 215153 477367 259893 303677 176642 359221 233610 240149 85250 198840 221291 108272 344860 318891 329275 276324 148853 244545 215973 232451 361969 346461 287959 196663 CYS-GLY Cys-Gly 427017 567788 107169 282803 180388 343218 398913 432050 619664 566508 605599 614641 749188 469688 586185 662968 632840 1856829 1465145 707132 355498 435658 476763 411547 137222 351448 426031 182856 604949 465689 461369 420300 246415 377326 329329 355360 706835 731976 499048 130406 CYTIDINE Cytidine 50440 80966 77546 77057 149731 48389 81983 45840 53371 74128 1247799 1160887 958835 917623 1038414 972791 881589 1051069 1207536 1058548 53103 60969 76950 38641 84508 39007 62650 75273 80924 73557 86701 50483 160518 54629 72456 87521 85860 49251 97700 65646 D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID_R1 558557 746965 448775 513541 491432 1530424 612230 671454 728440 953545 1122044 876593 667781 767262 1088828 1111829 568685 1113063 664469 1098118 527937 1034100 739000 768907 373525 669668 473789 374751 851215 880465 990126 745194 591991 638822 549083 520565 1245585 956086 939843 558909 D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID_R2 13533 17074 18775 24225 27900 125704 18686 16188 17968 12556 35890 15411 25928 38845 38000 21716 12909 28282 16113 22773 26371 17151 35450 16697 28136 31038 29872 15584 16861 57023 20949 54555 14869 14476 14996 13259 15055 14548 26992 15543 DIHYDROXYACETONE PHOSPHATE Dihydroxyacetone phosphate 3637155 3865820 3885231 3665022 4580670 2897899 4357770 3717009 3681228 5366375 15200000 13400000 2361328 9820749 9698288 6327393 2942629 3916484 2537178 11000000 4827843 6017381 7219761 4997379 4027769 4041368 4210722 2679674 7535770 6506234 4241706 2445607 1757504 2043074 2996287 2330624 2884999 4452196 3263557 1059276 DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose 591506 827344 4255774 762965 450279 838882 890888 2077295 944956 1124087 1318710 1469754 2910910 1171430 1116711 3564736 2556478 4651389 2909374 1215399 560916 1216479 812156 922197 700313 1811354 752684 420690 1008751 1049165 1103961 671329 462208 720429 569963 460313 1106209 747698 996295 366679 Docosahexaenoic Acid (22:6);Docosahexanoic Acid DHA 16704 46092 45334 42213 73642 11794 11604 147211 91407 13577 40327 16795 11555 42935 78318 35562 21098 55979 20161 38410 14772 543504 120965 160641 80996 264570 D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE Ribose 36800000 13600000 20500000 19600000 8527949 22700000 20400000 28800000 5465079 12600000 19100000 17000000 12700000 14100000 14700000 13200000 10200000 9394722 12300000 15300000 31200000 10900000 14800000 33200000 24700000 17900000 46400000 20500000 13500000 14400000 8156971 17100000 6417033 12100000 17700000 16400000 7050440 17300000 8965874 7586693 D-SACCHARIC ACID Glucaric acid 81658 100799 69232 55621 56299 786745 164235 109811 74972 99132 206171 195383 114643 168268 212295 175402 105933 183823 121005 161659 77166 167222 103697 90561 47993 110194 80115 58468 131771 137576 122195 107676 53774 96450 132270 81318 111950 103682 87652 57212 Fumaric Acid Fumaric acid 254125 548235 106540 104893 147199 195271 153913 175779 722504 571750 1124789 1276344 312937 853341 1065093 1356301 513874 1159092 530033 1119111 292753 712989 496742 288386 96769 223403 255912 135021 796506 717682 745511 305915 158109 285283 203233 179254 607803 487490 468292 124228 GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE Gluconic acid/Gulonolactone 14900000 4708835 8345933 9223888 2761254 13900000 12200000 14600000 5221723 5367180 4257966 4330106 2493633 3465865 3674252 3045501 2177793 3455493 3178328 3269359 14400000 7846668 6243841 17900000 7543113 14000000 16800000 8711773 8650071 7157291 8290951 15400000 3127808 15500000 12300000 11400000 8034901 20200000 7766868 7053408 GLUCOSE/FRUCTOSE_R1 Hexose 18800000 23300000 11500000 8242653 9833873 17100000 15400000 31100000 27200000 36300000 45800000 47900000 24500000 37500000 44500000 51100000 31700000 54400000 35900000 42000000 16400000 44900000 25000000 26500000 11100000 27400000 16700000 8654455 41800000 40100000 40000000 27100000 13300000 22700000 15600000 14100000 40300000 34700000 33800000 9221082 GLUCOSE/FRUCTOSE_R2 Hexose 6424576 7437527 3818223 2554616 3083990 5656606 5030520 9898596 8959775 12000000 16900000 15800000 8372114 12500000 15800000 16700000 11000000 18300000 12500000 14800000 5225629 14600000 8230007 8710659 3547295 8954250 5383208 2997882 13500000 13100000 13200000 8876563 4236690 7385694 5151765 4506159 13000000 11200000 10900000 5381849 GLUTATHIONE Glutathione 56600000 57700000 21100000 34600000 26000000 52000000 53200000 64400000 74100000 70500000 77600000 64500000 40700000 57800000 71600000 68000000 39900000 82200000 53800000 67000000 53500000 78700000 56800000 63300000 24600000 59200000 58700000 26600000 80000000 70900000 76000000 66700000 34300000 66100000 55000000 54000000 75500000 84500000 67900000 27100000 GLYCERIC ACID Glyceric acid 3764732 2556011 4924177 3051853 3160547 4836628 3256860 2154837 3289630 1828330 1750927 1781430 2230759 2047952 2345719 1758114 2148796 1127889 1915303 1685202 2772950 1804134 2158262 2623374 3393863 1830742 2517704 4102636 1762883 1781632 2405742 3427239 3513395 3178052 3438271 3268692 1873789 2846720 2169910 5993284 GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE Phosphoglyceric acid 8135879 3419212 10200000 14700000 6651400 11300000 25400000 13700000 2447720 4911478 3950392 3403524 1087609 3146244 3273389 2503627 1361847 1280322 1693604 3049541 8554969 4176545 4513575 13700000 7790959 9407348 7119487 6443613 3680771 3871154 4617906 14900000 13000000 13000000 16400000 23700000 6164819 15300000 7204173 5502334 GLYCOLATE Glycolic acid 411802 340046 551413 379487 422518 1353649 516470 359016 436465 359150 442911 428458 364376 420785 493504 355358 534982 384891 381481 383715 359666 516432 392912 393714 444218 430576 430255 488532 442908 508123 620898 384211 390544 508658 421101 428194 350218 339721 388893 410248 Guanosine Guanosine 498402 970795 1052436 898854 1288782 646557 994531 416837 401885 576280 1022901 852128 448906 699659 885145 1194765 395793 552974 587467 919364 542513 445491 701535 307773 778847 430056 710209 734769 740342 674295 631774 549968 1389379 716123 939103 1123099 714985 644148 1086949 744897 HOMOCYSTEINE Homocysteine 21134 20169 13635 15345 17561 19362 17613 22565 50556 25033 28211 30699 20941 24574 27361 27637 29344 28526 24993 24724 33933 42093 19835 22382 16358 23872 14760 25638 29090 30398 18061 12783 25364 18494 13607 25147 22360 27494 18866 INDOLE-3-ACETATE Indoleacetic acid 56797 33666 41881 56951 28013 45848 58444 60572 37318 37478 13707 11411 10057 8404 9257 53576 42463 37789 64509 45306 57472 56197 41790 48733 44880 40433 51508 30920 69174 57614 66364 38070 79825 37382 36049 ISOCITRIC ACID Isocitric acid 575678 587652 411264 346217 399390 596812 486365 795977 749155 867970 1212025 875184 639431 835749 1183030 1044757 729234 1048299 970666 875189 547125 1079790 643172 857255 340756 780716 522405 392250 857583 917545 1195255 972580 529678 766038 833435 697847 1122007 975173 1059798 497980 LACTATE Lactic acid 89000000 105000000 58000000 59600000 57100000 80600000 88000000 113000000 150000000 138000000 156000000 170000000 96500000 134000000 157000000 143000000 115000000 170000000 115000000 133000000 82100000 149000000 110000000 111000000 47500000 97400000 84500000 59500000 143000000 145000000 143000000 101000000 63500000 95700000 84500000 75200000 129000000 121000000 119000000 62700000 LACTATE-dimer 11900000 13300000 7520626 9781282 8897494 11300000 11300000 13900000 15100000 14800000 13500000 15900000 12300000 13900000 12500000 15000000 11600000 15100000 12800000 14400000 11400000 12500000 12700000 12100000 7536896 11900000 11800000 8588197 13600000 12400000 11900000 12500000 9112864 11600000 11100000 11000000 13900000 13800000 12600000 9077434 L-ARGININE Arginine 2982361 1987899 3773987 4858511 2276301 3401200 3839515 3262111 4201029 2180445 3831947 3773994 6109483 3152589 3379339 3311306 4526542 5877400 5230811 3235574 3390133 2088385 2267868 3112502 4251037 3314379 3475411 4172800 1997083 1991364 2218924 2983021 2351254 2703002 3412352 3122610 2135326 2989910 2179784 4796562 L-CYSTATHIONINE Cystathionine 27389 18684 28228 17682 17355 17286 19349 28589 29062 37563 36949 25986 24300 29896 17876 33838 84090 41852 22483 22101 34101 24933 23663 12238 28677 23476 20556 32807 39067 37444 25915 21933 27293 32862 28253 23312 22470 28170 17719 L-CYSTEINE Cysteine 479707 557012 190779 555667 387504 417477 558025 412739 842392 566887 838321 700720 642280 710283 894943 526751 281176 388334 455428 731174 426206 514071 618163 362959 380598 364390 569696 316136 570727 471947 660191 464564 524562 434420 509922 429281 575493 477712 656731 184385 LEUCINE Leucine 85705 107741 56204 59894 59321 82470 79665 95474 115836 104461 166907 162157 90384 120498 135824 156050 90942 138145 90889 129115 77154 140525 114893 103619 52390 89039 76511 65951 132599 129308 136451 94399 60695 78833 74626 75751 116312 106434 119300 65546 L-GLUTAMIC ACID;N-METHYL-D-ASPARTIC ACID;O-ACETYL-L-SERINE;O-Acetyl-L-Serine Glutamic acid 44700000 52800000 26900000 28600000 27300000 31600000 44700000 44000000 57100000 55900000 72800000 77700000 40400000 62300000 74200000 64200000 42000000 57100000 47400000 63300000 39700000 59300000 51000000 52900000 22300000 36200000 41900000 26400000 62800000 54800000 64700000 55400000 37700000 51400000 46300000 41800000 63300000 65800000 61000000 31400000 L-GLUTAMINE Glutamine 9415143 9624599 6448739 6934584 5960746 7312922 8866585 9550170 15700000 11300000 19700000 20300000 10500000 16800000 20500000 17700000 11300000 18300000 12000000 18900000 9675651 13500000 11000000 11000000 6555937 9308985 10100000 8134796 12600000 12300000 16400000 12400000 9397780 10600000 10200000 9945851 16600000 14100000 15100000 9060801 L-HISTIDINE Histidine 2482988 3219759 1692742 2304377 1953885 2402777 3175700 2630543 3604870 3681032 4285761 4829605 2268216 3543051 4066199 3939561 2044238 4286589 2526431 3574714 2728007 3853361 3420749 3312309 2023940 2607246 3127342 2064636 3876772 3532573 4149849 3061572 2639388 2819704 2813839 2696469 4214478 3984664 4065173 1504980 L-ISOLEUCINE Isoleucine 39612 64609 32980 35635 38604 53356 52617 60087 64472 70593 68354 72077 56956 71226 75215 73464 64147 109428 90889 67189 50395 82544 64002 76958 36438 51345 48370 34892 81887 74405 88690 67343 49266 52582 45541 40474 80054 61636 73107 37629 L-KYNURENINE Kynurenine 25867 12280 17564 7507 11360 9294 29065 28714 36933 27865 11793 9111 8426 7674 10165 11558 13011 8896 9129 13995 48017 13416 23557 8575 26531 13139 10177 25509 31189 40674 13744 27236 13654 14150 9928 23251 14805 28363 8381 LL-2_6-DIAMINOHEPTANEDIOATE 2,6-Diaminopimelic acid 223812 159640 215337 229352 103272 163592 182773 240661 172091 175426 534404 313827 1216093 295428 527428 430071 956490 1411204 1647706 493193 176413 164757 200554 156153 175600 219828 255938 118156 195675 181857 162378 218637 61867 158152 169660 140960 206776 226238 166056 149914 L-LYSINE Lysine 22463 16505 24337 18052 17873 17954 22620 19166 19809 17387 59918 51538 30899 60669 56275 27370 29392 49943 56968 48888 15574 24052 22547 21749 17342 18069 21297 19138 33942 22188 23400 14633 15700 13663 24071 14730 20342 22637 20558 17738 L-METHIONINE Methionine 1053168 1198103 680014 1053286 673754 1124316 1186940 1352932 1527534 1475952 2508716 2414161 1747987 1761390 2300982 2129916 1594945 2506709 2012180 2132917 1051219 1719581 1406908 1191244 945749 1273116 1214730 965342 1798639 1641136 1562187 1167984 784872 1053709 1104057 1108633 1571784 1354968 1337825 798574 L-Phenylalanine-13C6 Phenylalanine 399670 416930 391499 431296 367598 415483 438416 404736 376979 402470 386407 406119 435803 399465 382727 403024 444797 389390 418387 384692 451925 388624 428064 390489 455897 415803 400859 421908 393464 402193 389639 408416 423691 421070 405231 427116 406319 434003 389384 434038 L-SERINE Serine 6709031 6280836 5889135 9905169 7761618 7317712 12100000 4712741 4060242 6249791 7650800 8377490 5109779 7233418 6539469 4786195 3357270 3184999 3790579 6626709 8447519 4011884 7085316 7404580 9375354 6121021 9030150 9834435 4684701 4868703 4896124 7147788 7534530 6767023 9023139 8172009 5426197 7443861 6555639 3916037 L-TYROSINE Tyrosine 1131458 1727770 808168 916008 873936 1050132 1101056 1333891 1591823 1621313 2240535 2278435 1208253 1669429 2091962 1937746 1133220 1717787 1382654 1887359 1138973 1848702 1598829 1363440 907898 1223522 1201295 860855 1775356 1818099 1804858 1352340 1097665 1173998 1164834 1120686 1820617 1479004 1779197 963042 L-Tyrosine-13C6 Tyrosine 190421 205243 189821 175648 201034 186986 206006 196078 181303 172929 180543 195196 201773 198371 177432 192319 186885 175837 187464 187233 200814 180710 190964 179449 195939 199033 197189 184765 189247 183721 199936 192386 183993 188855 175311 181300 187009 184444 184128 218577 L-VALINE Valine 51375 76483 40265 37319 33512 56687 61672 71528 99650 97677 124901 133896 52595 94714 143586 130870 53245 87253 63033 97823 51454 105500 91064 77139 35788 76573 60997 43804 107815 100264 105256 80487 46153 54517 60275 49825 103431 80505 89278 34660 MALATE Malic acid 412972 477325 429990 186253 312132 395505 432394 451289 548021 642945 1346680 951609 632086 790452 1534065 716772 1005638 774190 780139 613414 390480 1472519 706874 707432 241102 678198 456536 218196 884360 1514757 1284342 608221 386407 699036 422267 402296 695806 587690 800171 277342 MALATE;OXALOACETATE+2H-H Malic acid 10100000 18900000 4701749 3114661 5726027 6797943 5841482 6193684 25800000 23400000 46900000 45000000 12000000 32400000 43300000 42500000 21900000 41700000 22500000 35300000 9730182 31300000 19600000 12000000 3667490 9464294 9651539 4772897 30900000 29500000 34300000 12900000 6229588 13800000 7299243 6732213 27500000 21300000 21900000 3978597 Mannitol;HEXOSE ALCOHOL Mannitol 234868 108291 207795 213829 135994 142997 295901 136541 140140 76204 90983 126620 75605 100448 114912 97162 69126 60191 67755 99747 160775 86940 127037 146873 233042 105309 152419 247663 151920 121239 58898 205575 139126 250805 166876 389470 168603 148419 108194 188025 N-ACETYL-DL-GLUTAMIC ACID N-Acetylglutamic acid 99844 92443 54519 53855 55615 86369 89053 119679 115581 111918 99229 91353 55725 72092 95429 93114 83730 120786 73931 86420 93296 132330 85841 136237 48996 109683 84979 51273 135326 128358 149130 123938 58951 136996 90120 91266 128560 171436 107906 58553 N-ACETYL-HEXOSAMINE N-Acetylhexosamine 723532 947622 305565 480299 530097 379738 568069 836246 780197 1084716 1146103 1084616 713505 976281 1196322 963206 656479 1094488 840627 994910 619436 807101 1011886 912721 249644 614689 754031 201628 810991 929709 942126 968251 593024 678897 719987 681383 1259530 1123365 885857 436010 N-ACETYL-L-ALANINE N-Acetylalanine 193581 268407 140835 154870 165765 192676 183327 241708 330351 280821 615864 618322 456904 479505 579689 579383 515386 828500 573511 531416 200569 417171 321615 224720 149921 229365 188427 156890 396147 400674 325203 212106 154684 194805 193747 171551 310737 245000 295779 147246 N-ACETYL-L-ASPARTIC ACID N-Acetylaspartic acid 385368 463098 226708 198149 205666 310087 290356 436872 610597 606102 859030 829484 430665 621771 837431 738200 526639 952312 580388 666055 320914 812900 519968 521573 162522 386241 336393 188125 794498 759913 738991 440215 288870 399808 351632 316562 647630 565445 609267 209165 N-ACETYL-L-LEUCINE N-Acetylleucine 280119 554452 538254 1020730 560784 3373691 724845 1877550 1890008 835145 2878526 727363 500504 907127 601317 5722391 1355190 9604353 1176905 781052 641089 1353265 783140 656568 889288 2090324 924820 1565147 1270088 1326851 437512 268904 619607 436160 435141 4130139 825995 4907555 4837449 3685670 N-ACETYLNEURAMINATE N-Acetylneuraminic acid 7103864 10300000 4468086 4671200 6051674 5324374 6098523 7172709 9927784 12000000 7458806 7073932 4086521 5992961 7064328 5933859 4131905 6309601 5029760 6203428 6312296 14600000 12300000 8358155 3880972 6926235 7522308 3712468 13800000 13400000 11600000 7994306 6708132 7181686 6448907 6220887 12300000 9540478 11900000 4166315 NALPHA-ACETYL-L-LYSINE N(2)-Acetyllysine 79614 30803 55659 97604 31589 65655 67762 83415 36786 42624 49685 49958 228405 36061 32536 40347 170692 285583 220839 36321 75418 63969 54256 69763 115419 81234 88860 94979 50053 55814 24395 75162 26124 69082 79927 61950 40345 80489 40510 82145 N-BOC-L-Aspartic Acid_R1 Aspartic acid 29100000 28600000 29200000 27800000 29300000 28300000 29400000 28600000 26900000 29300000 28900000 29500000 30100000 30100000 29600000 29300000 30000000 28700000 29800000 30400000 29400000 29100000 29800000 29200000 30400000 28700000 28300000 28200000 29800000 29200000 28700000 30400000 28300000 30000000 29600000 29300000 27800000 28700000 28200000 30000000 N-BOC-L-Aspartic Acid_R2 Aspartic acid 4544684 4661551 4592538 4427761 4430328 4325092 5019485 4416749 4564112 4594610 4538229 4928942 4677180 4626090 4619343 4677975 4728516 4534708 4615986 4878300 4726307 4473736 4628618 4600744 4541004 4602163 4442474 4755563 4509383 4642697 4719206 4541351 4533968 4632674 4607815 4524720 4554025 4544688 4296091 4997850 N-BOC-L-tert-Leucine_R1 40900000 43100000 40300000 39100000 41000000 40600000 42500000 40100000 42300000 40000000 40900000 41300000 43700000 44200000 44100000 43700000 42500000 41500000 42900000 42700000 41300000 40000000 41800000 39100000 41300000 41300000 41100000 41300000 39700000 40600000 41800000 40300000 39200000 42800000 43500000 42400000 41600000 45200000 40000000 43200000 N-BOC-L-tert-Leucine_R2 21000000 20900000 20900000 19600000 21500000 20500000 21100000 21400000 20700000 20800000 21800000 20500000 23300000 23500000 23600000 22100000 22300000 21200000 22400000 21700000 21400000 21800000 21700000 20500000 22100000 22400000 20900000 19900000 20500000 21500000 21900000 21900000 19600000 23100000 22500000 22000000 21300000 22900000 21200000 22000000 N-BOC-L-Tryptophan_R1 Tryptophan 50600000 52400000 50800000 48300000 49000000 52000000 51600000 48400000 48000000 48700000 48800000 52900000 50400000 49500000 50700000 55700000 47800000 52900000 52600000 53700000 50700000 49700000 51000000 52300000 49300000 52900000 51100000 51400000 51400000 49800000 46700000 45800000 48500000 51100000 50200000 49700000 54400000 52000000 50400000 50200000 N-BOC-L-Tryptophan_R2 Tryptophan 49500000 48600000 50800000 45900000 50300000 51300000 50600000 48900000 47400000 48400000 50800000 50800000 50600000 49400000 52800000 52000000 50200000 51000000 52200000 51100000 49800000 50400000 51700000 50200000 51800000 53100000 49300000 49700000 50800000 51400000 48200000 46800000 47100000 52300000 51300000 50200000 53200000 50400000 49600000 49600000 N-formyl-L-methionine N-Formylmethionine 16550 25233 14043 13640 11643 26698 14698 31784 27886 30177 45208 35780 27828 37154 41446 39431 37288 49351 38390 32738 14916 38553 35876 27009 11055 16711 16327 11203 44194 36359 44139 31436 13848 34305 14156 14762 30402 31223 34437 11094 Nicotinamide ribotide Nicotinamide ribotide 85137 55204 193792 102356 95856 136400 152992 132054 59217 56863 61941 44275 48138 46851 63724 56396 41955 40093 52835 57856 106539 73734 99174 120363 143070 148983 154895 118905 88216 81315 81108 86566 81371 126115 115514 125472 64078 75605 94415 119751 N-METHYL-L-GLUTAMATE;ALPHA-AMINOADIPATE;L-2-Aminoadipic Acid N-Methyl-glutamic acid 48544 58919 34660 32741 30428 24894 101449 46866 48003 68245 75681 73394 74833 106428 62166 121134 83531 155988 92863 63789 43291 72575 59542 50412 18183 53060 49831 11453 58647 71018 53677 56074 44849 36548 48662 47371 64997 60759 51787 44641 Pantothenic Acid Pantothenic acid 5535881 7785449 2767785 2882810 3601355 4598569 4325213 6114578 10300000 9416164 6642239 6330743 3284073 4973922 6620381 6117716 4139302 7217124 4980052 5720787 4694451 12000000 7867375 6494098 2349716 5469968 5008438 2738584 11900000 10800000 11800000 6613598 4584277 6014645 4862112 4807189 11100000 8297704 9634021 3353629 PHOSPHOCHOLINE Choline phosphate 6906416 6979391 7131948 4109609 4535471 5565007 5270945 7521540 8052752 9416341 17100000 18300000 12000000 15800000 16100000 15800000 13900000 22000000 13800000 16900000 4548493 9503001 6528450 6381504 4223570 7678144 5162606 4909580 7969948 7687818 10100000 6531927 5709132 5614420 5320089 4979143 10000000 7017380 9505770 10900000 S-(5^-ADENOSYL)-L-HOMOCYSTEINE S-Adenosylhomocysteine 78870 98128 61068 70352 74131 76127 79591 84833 100157 95673 145798 130459 95004 101076 121102 126895 92841 129309 120025 107617 70421 111607 80469 77584 60467 78024 73579 44750 108042 105905 95007 76724 67779 72532 69365 65834 95895 81436 97347 60803 Salicylic Acid-D4 Salicylic acid 3770015 3896690 4112849 3519128 3827421 3728302 4245493 3649570 4012373 3750431 3779821 4112590 3866759 4009861 4165347 3896721 4245542 3759083 3842379 3937299 3855723 3916005 3836579 3790892 4055879 4017929 3649667 4127181 3860390 4054905 4206047 3880890 3800038 4098193 4214470 3936696 3820152 4138838 3820797 4195144 SARCOSINE/BETA-ALANINE_R1 2450860 2916458 695661 1306143 1273388 1936622 2145600 2631617 3927947 3483360 4388209 4643069 2160174 3370414 4409624 3411760 2447125 4284196 2949785 4060243 2235399 3172185 2605523 2873693 909185 2145931 2383055 1227003 3413110 2843708 3583363 2886940 1767893 2534334 2264047 2146772 4052712 3837078 3282517 1553118 SARCOSINE/BETA-ALANINE_R2 286221 313268 716458 1307539 1300478 182026 346026 244995 491296 420931 444755 508345 340296 405857 418229 482164 2446784 566552 369537 462460 222547 338589 270305 291419 910859 223998 252709 1231906 423923 312592 366191 312258 256823 260045 2273680 228262 467216 387900 410817 209745 S-CARBOXYMETHYL-L-CYSTEINE S-Carboxymethyl-cysteine 559803 460787 613977 514797 568364 434180 616223 384251 261587 366385 304928 412438 394102 416114 355812 343934 408805 276501 384337 314210 507328 375052 439939 433999 543620 380652 513983 622286 385910 356235 426923 513832 582693 487982 661754 504515 379589 494834 406910 451971 SUCCINATE Succinic acid 6281445 8435286 3873254 4779721 4572775 6954334 6971721 8807070 12400000 11300000 19000000 19300000 12700000 15200000 19000000 18500000 14200000 24300000 16100000 17900000 6747318 14600000 9230064 9059128 3719868 7322431 6561127 4421115 13900000 13900000 13400000 7013488 5748569 6676149 6524498 6282435 12700000 9146790 11700000 5171618 Succinic-2_2_3_3-D4 Acid 6556197 7413664 7091468 6976868 6740983 6924190 8015749 7020104 7173114 6713482 6784821 7702128 7026638 6999939 7070405 7199297 7016929 7120030 6721473 7336634 7300025 6806576 6903639 6539181 7226101 6928758 6846473 7556408 6772310 7053894 7328034 6981057 6451214 6966332 7827962 7154024 6623384 6909531 6646743 7899390 Sulfoacetaldehyde Sulfoacetaldehyde 371224 375334 328086 312968 294439 384834 369825 539970 380732 387048 441978 475627 270980 335594 374812 315207 246071 356587 282243 348540 356061 481344 372053 436751 269376 436092 396739 345611 418130 362881 534645 371677 341151 413897 435972 307633 366612 343892 418621 217445 TAURINE Taurine 4369219 6526317 1993048 2770334 3234740 3583940 4525444 3821918 7135580 7691546 9336134 11000000 4726247 8494049 9795290 9801545 5771924 9531583 6259450 9318521 4318154 7568827 6130256 5164962 1812298 4207957 4208970 2675094 7510892 7045488 9266748 5587739 4841183 4749603 4410500 3993364 9178865 6952708 8111511 2126244 THREONINE/HOMOSERINE Threonine/Homoserine 4084823 3246575 3555114 3612818 2828400 2628315 3793230 2364458 4313741 2824773 3306339 3152904 2020677 2973305 3542000 2584817 1789525 1715238 1901268 2895877 3274628 2822614 3716582 3368568 2518080 2043895 3481394 3954588 2920797 3048259 3074262 3696144 3762252 3251412 4085146 3686567 3162437 3672962 3268928 3589797 Tryptophan Tryptophan 1147740 1312185 751039 830951 832090 1018731 1004076 1279088 1639209 1642360 1523510 1443436 1081518 1201548 1405581 1300267 1087814 1661681 1276104 1214629 948824 2051895 1530850 1269127 743433 1140195 1142806 737148 2047690 1915388 1765098 1121997 931907 1101150 924174 1000732 1716663 1322180 1574748 794026 Tryptophan-2_3_3-D3 Tryptophan 4211005 4445484 4029904 4030652 4220301 4324222 4197626 4265324 4030206 4394078 4266235 4412996 4299921 4457574 4018399 4108180 4095990 4137455 4189036 4417684 4140012 4384479 4495165 4121423 4375023 4138911 4293101 3999582 4304540 4347751 4380906 4207211 4111889 4521873 4396063 4543009 4338413 4221214 4233980 4166373 UDP UDP 1954395 869128 623370 531738 1074837 1267306 1192301 1530618 4198201 4150326 3037904 4160731 1123830 3194387 2354211 824588 2715932 4901240 3173932 1563418 1387276 4726661 1506540 2132545 465848 1753607 1037821 566038 4359899 3330412 4376042 2429701 846055 1332554 1294585 570384 3673352 1917728 3658449 986891 Uracil Uracil 1728822 683594 1739080 2258399 660410 1850723 2498593 2710738 851114 870666 584601 554190 406997 388495 512952 365507 326543 490705 399004 450210 2216464 1163029 1200742 2373427 2797421 2287620 2709354 2613555 1396366 1389202 806619 1696822 546355 1440030 1871820 1540541 925229 1817806 1176908 2115189 URIDINE Uridine 2713967 4270168 3965916 3740225 3617000 3114564 4270271 2879369 2740604 3417529 9789954 7905430 5467839 5927077 7807858 7710723 5134703 6699122 7265435 7326449 3615021 4037168 4887737 2272687 4367817 2504394 3528658 3322176 5923503 5203857 3162890 2279438 4256385 2349960 3556543 3890740 3142178 2529614 3805637 3342152 XANTHINE Xanthine 4678792 3680150 5916068 6260238 3822456 5050597 7113171 6479262 3624236 3759395 8000077 7570148 4282245 5404701 6408856 6083510 4006819 5257147 6962038 6320851 6209685 4463436 4866277 6010535 6919605 5309093 6343598 6176410 5893102 5493171 3515507 5045157 4326015 4365171 5563929 5962203 3378285 4642804 4264447 6242610