#METABOLOMICS WORKBENCH goldsteinlabucla_20230911_170432 DATATRACK_ID:4303 STUDY_ID:ST002863 ANALYSIS_ID:AN004695 PROJECT_ID:PR001786 VERSION 1 CREATED_ON September 14, 2023, 9:59 am #PROJECT PR:PROJECT_TITLE MYC is a regulator of androgen receptor inhibition-induced metabolic PR:PROJECT_TITLE requirements in prostate cancer PR:PROJECT_SUMMARY Advanced prostate cancers are treated with therapies targeting the androgen PR:PROJECT_SUMMARY receptor (AR) signaling pathway. While many tumors initially respond to AR PR:PROJECT_SUMMARY inhibition, nearly all develop resistance. It is critical to understand how PR:PROJECT_SUMMARY prostate tumor cells respond to AR inhibition in order to exploit PR:PROJECT_SUMMARY therapy-induced phenotypes prior to the outgrowth of treatment-resistant PR:PROJECT_SUMMARY disease. Here, we comprehensively characterize the effect of AR blockade on PR:PROJECT_SUMMARY prostate cancer metabolism using transcriptomics, metabolomics and bioenergetics PR:PROJECT_SUMMARY approaches. The metabolic response to AR inhibition is defined by reduced PR:PROJECT_SUMMARY glycolysis, robust elongation of mitochondria, and increased reliance on PR:PROJECT_SUMMARY mitochondrial oxidative metabolism. We establish DRP1 activity and MYC signaling PR:PROJECT_SUMMARY as mediators of AR blockade-induced metabolic phenotypes. Rescuing DRP1 PR:PROJECT_SUMMARY phosphorylation after AR inhibition restores mitochondrial fission, while PR:PROJECT_SUMMARY rescuing MYC restores glycolytic activity and prevents sensitivity to complex I PR:PROJECT_SUMMARY inhibition. Our study provides new insight into the regulation of PR:PROJECT_SUMMARY treatment-induced metabolic phenotypes and vulnerabilities in prostate cancer. PR:INSTITUTE University of California, Los Angeles PR:DEPARTMENT Molecular, Cell and Developmental Biology PR:LABORATORY Andrew Goldstein PR:LAST_NAME Goldstein PR:FIRST_NAME Andrew PR:ADDRESS 610 Charles E Young Dr East, Goldstein Lab 3141 Terasaki Life Sci Bld, Los PR:ADDRESS Angeles, CA, 90095, USA PR:EMAIL AGoldstein@mednet.ucla.edu PR:PHONE 3102061402 #STUDY ST:STUDY_TITLE Metabolic profiling and glucose tracing in naive and Enzalutamide-treated 16D ST:STUDY_TITLE prostate cancer cells ST:STUDY_SUMMARY Advanced prostate cancers are treated with therapies targeting the androgen ST:STUDY_SUMMARY receptor (AR) signaling pathway. While many tumors initially respond to AR ST:STUDY_SUMMARY inhibition, nearly all develop resistance. It is critical to understand how ST:STUDY_SUMMARY prostate tumor cells respond to AR inhibition in order to exploit ST:STUDY_SUMMARY therapy-induced phenotypes prior to the outgrowth of treatment-resistant ST:STUDY_SUMMARY disease. Here, we comprehensively characterize the effect of AR blockade on ST:STUDY_SUMMARY prostate cancer metabolism using transcriptomics, metabolomics and bioenergetics ST:STUDY_SUMMARY approaches. The metabolic response to AR inhibition is defined by reduced ST:STUDY_SUMMARY glycolysis, robust elongation of mitochondria, and increased reliance on ST:STUDY_SUMMARY mitochondrial oxidative metabolism. We establish DRP1 activity and MYC signaling ST:STUDY_SUMMARY as mediators of AR blockade-induced metabolic phenotypes. Rescuing DRP1 ST:STUDY_SUMMARY phosphorylation after AR inhibition restores mitochondrial fission, while ST:STUDY_SUMMARY rescuing MYC restores glycolytic activity and prevents sensitivity to complex I ST:STUDY_SUMMARY inhibition. Our study provides new insight into the regulation of ST:STUDY_SUMMARY treatment-induced metabolic phenotypes and vulnerabilities in prostate cancer. ST:INSTITUTE University of California, Los Angeles ST:DEPARTMENT Molecular, Cell and Developmental Biology ST:LABORATORY Andrew Goldstein ST:LAST_NAME Goldstein ST:FIRST_NAME Andrew ST:ADDRESS 610 Charles E Young Dr East, Goldstein Lab 3141 Terasaki Life Sci Bld, Los ST:ADDRESS Angeles, CA, 90095, USA ST:EMAIL AGoldstein@mednet.ucla.edu ST:PHONE 3102061402 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - JG-001 Treatment:vehicle (DMSO) RAW_FILE_NAME=JG-001.raw SUBJECT_SAMPLE_FACTORS - JG-002 Treatment:vehicle (DMSO) RAW_FILE_NAME=JG-002.raw SUBJECT_SAMPLE_FACTORS - JG-003 Treatment:vehicle (DMSO) RAW_FILE_NAME=JG-003.raw SUBJECT_SAMPLE_FACTORS - JG-004 Treatment:Enzalutamide 24 hours RAW_FILE_NAME=JG-004.raw SUBJECT_SAMPLE_FACTORS - JG-005 Treatment:Enzalutamide 24 hours RAW_FILE_NAME=JG-005.raw SUBJECT_SAMPLE_FACTORS - JG-006 Treatment:Enzalutamide 24 hours RAW_FILE_NAME=JG-006.raw SUBJECT_SAMPLE_FACTORS - JG-007 Treatment:Enzalutamide 48 hours RAW_FILE_NAME=JG-007.raw SUBJECT_SAMPLE_FACTORS - JG-008 Treatment:Enzalutamide 48 hours RAW_FILE_NAME=JG-008.raw SUBJECT_SAMPLE_FACTORS - JG-009 Treatment:Enzalutamide 48 hours RAW_FILE_NAME=JG-009.raw SUBJECT_SAMPLE_FACTORS - JG-010 Treatment:Enzalutamide long-term RAW_FILE_NAME=JG-010.raw SUBJECT_SAMPLE_FACTORS - JG-011 Treatment:Enzalutamide long-term RAW_FILE_NAME=JG-011.raw SUBJECT_SAMPLE_FACTORS - JG-012 Treatment:Enzalutamide long-term RAW_FILE_NAME=JG-012.raw SUBJECT_SAMPLE_FACTORS - QC-blank1 Treatment:NA RAW_FILE_NAME=QC-blank1.raw SUBJECT_SAMPLE_FACTORS - QC-blank2 Treatment:NA RAW_FILE_NAME=QC-blank2.raw #COLLECTION CO:COLLECTION_SUMMARY media was aspirated and cells were washed with cold 150mM ammonium acetate pH CO:COLLECTION_SUMMARY 7.3. Metabolite extractions were performed by adding 500μl of cold 80% methanol CO:COLLECTION_SUMMARY containing 2nM Norvaline (Sigma) as an internal standard per well. Cells were CO:COLLECTION_SUMMARY removed using a cell scraper before transferring cell suspensions to 1.5ml CO:COLLECTION_SUMMARY Eppendorf tubes. Samples were vortexed for 30 seconds and spun at 4°C for 5 CO:COLLECTION_SUMMARY minutes at maximum speed to pellet the insoluble fraction before 420 µl of the CO:COLLECTION_SUMMARY soluble fraction was transferred to ABC vials (Thermo Fisher Scientific). 80% CO:COLLECTION_SUMMARY MeOH was evaporated from the ABC vials using the EZ-2Elite evaporator (Genevac) CO:COLLECTION_SUMMARY and samples were stored at -80°C until analysis. CO:SAMPLE_TYPE Prostate cancer cells #TREATMENT TR:TREATMENT_SUMMARY Tissue culture plates were coated with 0.01% (v/v) Poly-L-Lysine (Sigma, P4832) TR:TREATMENT_SUMMARY diluted 1/20 in distilled water and washed with PBS to enhance cell attachment. TR:TREATMENT_SUMMARY 16D and LNCaP cells were cultured in RPMI base media (Gibco) + 10% FBS (v/v) + TR:TREATMENT_SUMMARY 100 units/mL penicillin, and 100μg/mL streptomycin. Enzalutamide treatment was TR:TREATMENT_SUMMARY performed by adding 10μM Enzalutamide (Selleck Chemicals, S1250) every 48 TR:TREATMENT_SUMMARY hours. TR:TREATMENT_COMPOUND Enzalutamide TR:TREATMENT_VEHICLE DMSO #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For metabolite extraction, media was aspirated and cells were washed with cold SP:SAMPLEPREP_SUMMARY 150mM ammonium acetate pH 7.3. Metabolite extractions were performed by adding SP:SAMPLEPREP_SUMMARY 500μl of cold 80% methanol containing 2nM Norvaline (Sigma) as an internal SP:SAMPLEPREP_SUMMARY standard per well. Cells were removed using a cell scraper before transferring SP:SAMPLEPREP_SUMMARY cell suspensions to 1.5ml Eppendorf tubes. Samples were vortexed for 30 seconds SP:SAMPLEPREP_SUMMARY and spun at 4°C for 5 minutes at maximum speed to pellet the insoluble fraction SP:SAMPLEPREP_SUMMARY before 420 µl of the soluble fraction was transferred to ABC vials (Thermo SP:SAMPLEPREP_SUMMARY Fisher Scientific). 80% MeOH was evaporated from the ABC vials using the SP:SAMPLEPREP_SUMMARY EZ-2Elite evaporator (Genevac) and samples were stored at -80°C until analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Dried metabolites were resuspended in 50% ACN:water and 1/10th was loaded onto a CH:CHROMATOGRAPHY_SUMMARY Luna 3um NH2 100A (150 × 2.0 mm) column (Phenomenex). The chromatographic CH:CHROMATOGRAPHY_SUMMARY separation was performed on a Vanquish Flex (Thermo Fisher Scientific) with CH:CHROMATOGRAPHY_SUMMARY mobile phases A (5 mM NH4AcO pH 9.9) and B (ACN) and a flow rate of 200 CH:CHROMATOGRAPHY_SUMMARY μl/minute. A linear gradient from 15% A to 95% A over 18 minutes was followed CH:CHROMATOGRAPHY_SUMMARY by 9 minutes isocratic flow at 95% A and reequilibration to 15% A. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 2mm,3um) CH:SOLVENT_A 5 mM NH4AcO pH 9.9 CH:SOLVENT_B ACN CH:FLOW_GRADIENT Linear gradient was as follows: 15% A to 95% A over 18 minutes was followed by 9 CH:FLOW_GRADIENT minutes isocratic flow at 95% A and reequilibration to 15% A CH:FLOW_RATE 200 ul/minute CH:COLUMN_TEMPERATURE 35 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Metabolites were detection with a Thermo Fisher Scientific Q Exactive mass MS:MS_COMMENTS spectrometer run with polarity switching (+3.5 kV/− 3.5 kV) in full scan mode MS:MS_COMMENTS with an m/z range of 70-975 and 70.000 resolution. TraceFinder 4.1 (Thermo MS:MS_COMMENTS Fisher Scientific) was used to quantify the targeted metabolites by area under MS:MS_COMMENTS the curve using expected retention time and accurate mass measurements (< 5 MS:MS_COMMENTS ppm). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Abundance MS_METABOLITE_DATA_START Samples JG-001 JG-002 JG-003 JG-004 JG-005 JG-006 JG-007 JG-008 JG-009 JG-010 JG-011 JG-012 QC-blank1 QC-blank2 Factors Treatment:vehicle (DMSO) Treatment:vehicle (DMSO) Treatment:vehicle (DMSO) Treatment:Enzalutamide 24 hours Treatment:Enzalutamide 24 hours Treatment:Enzalutamide 24 hours Treatment:Enzalutamide 48 hours Treatment:Enzalutamide 48 hours Treatment:Enzalutamide 48 hours Treatment:Enzalutamide long-term Treatment:Enzalutamide long-term Treatment:Enzalutamide long-term Treatment:NA Treatment:NA 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholineM0 52282603 50413757 53778470 53776744 56045357 58877556 51264048 48759626 56163526 70799947 78706770 72323339 148340 247562 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholineM0 68677105 67031208 68597592 77331615 85883533 87241267 81201929 73977412 90711822 128734168 145357852 125331642 0 0 1,3-BisphosphoglycerateM0 0 0 0 128799 122935 0 0 0 0 0 0 0 0 0 1,3-BisphosphoglycerateM3 1152328 1507259 1701695 1972244 1608313 947345 1124700 820991 1750636 159070 143203 92938 0 0 2-AminobutyrateM0 44860672 45066481 49736710 54009205 45684071 42427982 53347197 50835122 61762027 60313429 52281588 52909395 0 825350 2-AminobutyrateM1 1529854 984725 923695 848105 1046350 739601 832829 1065058 1313105 868724 686859 1378247 0 0 2-HGM0 21913137 23240419 25429707 20830056 20363795 21067267 19427979 18309193 22578168 15879177 14797224 16578151 5486098 6128961 2-HGM1 834264 571011 966998 332956 600741 215015 263455 755111 882773 455873 456694 94702 181061 112981 2-HGM2 929650 1969108 1435267 1129496 719069 335213 291010 753791 0 568848 82456 238171 0 0 2-OxoadipateM0 413728 407345 377068 1007767 1002786 449960 577764 793931 855412 776763 571911 1037006 0 0 2-OxosuccinamateM0 33464 147526 157033 83812 135504 49138 0 106845 203893 0 64832 76269 0 0 3-PhosphoglycerateM0 1007252 1135999 685782 684232 468104 754454 648081 808120 776011 552435 140242 259066 0 0 3-PhosphoglycerateM2 0 0 0 73015 50216 44453 0 46800 61846 0 0 0 0 0 3-PhosphoglycerateM3 6430119 6499415 5847875 5469158 4825217 4629306 5723809 4362991 6916750 3265568 3050655 2531144 0 0 4-HydroxyphenyllactateM0 10192293 10908815 10542949 14394445 14346787 12021744 13530660 13542363 17195504 14277534 15202512 15019453 0 0 5-OxoprolineM0 1506298024 1240762120 1113432196 1377046315 1154625169 933226377 1379921674 1090286466 1484549706 5123989118 1735498844 927850727 140479 198725 5-OxoprolineM1 84844685 71005651 64414163 78191805 65834325 52065877 77927575 63260181 84760218 280339810 99863465 55656919 0 0 5-OxoprolineM2 8751759 8254109 9390494 11821630 9681421 6156387 7490272 6979181 10798224 12644563 8230702 6954999 0 0 5-OxoprolineM3 876427 1418161 1972874 1160274 1834425 1808413 740573 1975258 2075012 1503968 1448042 1432362 0 69040 5-OxoprolineM4 47889 192013 454159 342052 236618 206737 203855 185052 675750 0 60770 321339 0 0 5-OxoprolineM5 66124 231900 0 44535 0 483560 158605 42350 47073 205127 301089 82648 0 0 6-PhosphogluconateM2 0 0 0 0 0 0 0 0 0 0 55068 71288 0 0 6-PhosphogluconateM3 0 0 0 0 0 0 0 0 0 314281 575225 233144 0 0 6-PhosphogluconateM4 0 0 0 0 0 0 0 0 0 0 124055 48734 0 0 6-PhosphogluconateM5 0 205489 157166 68374 58528 65789 67741 77185 94468 843020 1234168 696820 0 0 6-PhosphogluconateM6 430187 579408 852793 550711 453512 488671 314037 307968 856218 3122173 3907233 2930293 0 0 a-KetoglutarateM0 11884029 13263770 15174854 19910314 15369699 12293801 10236865 9843002 15719443 17187189 13689796 12209608 0 0 a-KetoglutarateM1 47947 0 152506 0 0 0 57662 125373 0 424653 230276 55241 0 0 a-KetoglutarateM2 310207 0 470229 883285 854373 0 473895 0 142161 0 426049 269260 0 0 Acetoacetyl-CoAM1 1475 0 1452 0 0 0 0 0 0 0 0 0 0 0 Acetoacetyl-CoAM10 3948 0 1260 1269 1649 1295 0 1271 2036 0 0 0 0 0 Acetoacetyl-CoAM11 1057 1340 5425 6615 7583 1083 835 12284 4479 1705 1188 3370 0 0 Acetoacetyl-CoAM12 0 1110 4265 3122 7754 0 1545 3323 0 0 3812 1749 0 0 Acetoacetyl-CoAM13 0 0 0 1843 765 2451 3978 1710 5897 1281 3289 2995 0 0 Acetoacetyl-CoAM14 2587 0 4615 0 0 0 1421 1434 0 0 0 0 0 0 Acetoacetyl-CoAM15 0 0 0 1331 3057 1380 0 0 0 1109 0 1448 0 0 Acetoacetyl-CoAM16 5866 3135 3433 3222 0 2243 1252 1813 5333 0 1192 2151 0 0 Acetoacetyl-CoAM17 0 0 0 0 0 0 4403 1249 0 0 0 0 0 0 Acetoacetyl-CoAM18 0 0 0 7577 0 2916 0 2437 1202 0 1076 5504 0 0 Acetoacetyl-CoAM19 0 0 0 0 0 0 5596 0 1425 0 3535 2068 0 0 Acetoacetyl-CoAM5 0 0 0 1379 1601 0 0 0 0 0 0 0 0 0 Acetoacetyl-CoAM6 0 0 0 0 0 0 2636 0 3334 0 0 0 0 0 Acetoacetyl-CoAM7 0 0 0 0 0 0 0 0 0 1315 3562 0 0 0 Acetoacetyl-CoAM8 0 0 0 905 1463 1436 1515 3707 1792 0 0 0 0 0 Acetoacetyl-CoAM9 0 1969 1294 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoAM0 524495 546182 550586 781753 701174 632410 753604 729821 998006 1409670 1376421 1237055 0 0 Acetyl-CoAM1 181826 182667 186415 230651 213309 178361 246645 233261 322253 449806 421205 408406 0 0 Acetyl-CoAM10 7498 14214 9169 4390 1329 5862 901 5364 967 0 0 0 0 0 Acetyl-CoAM2 410936 427986 445481 503544 449748 377425 493915 451252 635617 639286 575658 557382 0 0 Acetyl-CoAM3 203028 233153 237695 253010 212474 177353 216947 219708 291776 250871 223969 228576 0 0 Acetyl-CoAM4 326388 345162 356842 326405 290092 233351 298844 267898 384873 316349 312383 262618 0 0 Acetyl-CoAM5 2337743 2464783 2543746 2430830 2241604 1959991 2076455 2063213 2821754 1904649 1852458 1680867 0 0 Acetyl-CoAM6 803839 862285 878791 802273 714078 615274 679556 658434 908947 568177 552732 508143 0 0 Acetyl-CoAM7 1139690 1222168 1237646 1183176 983786 829672 958904 864285 1219766 587401 546620 491699 1996 0 Acetyl-CoAM8 298432 334173 336737 292095 250310 201512 249927 220964 294565 129866 117693 108286 0 0 Acetyl-CoAM9 12142 46759 43427 19443 4915 9753 17834 12794 11087 1015 19395 11940 0 0 AcetylcarnitineM0 2188949372 2179663738 2326327595 3240251160 2910661919 2587463773 3194330397 3075527221 3959507124 2411274274 2151922770 2166516900 64982 59550 AcetylcarnitineM1 249252218 249553748 263755912 365226826 323772011 280520232 355950452 343572711 436420571 259049682 224633304 224871497 194428 0 AcetylcarnitineM2 994740773 1012914297 1068674272 1484268508 1228316129 1023769281 1419762804 1260289724 1704184174 580137047 479720469 472923438 0 0 AcetylcarnitineM3 73997009 77875859 79960169 107972015 91429767 75083954 106761717 90487210 127856450 41241506 35619957 33407521 0 0 AcetylcarnitineM6 0 0 0 0 0 0 0 0 0 107196 0 54885 0 0 AcetylcholineM0 349832513 344230103 363215034 445038825 394217430 342864758 470315996 455675278 534968563 457706489 452128700 457224537 0 0 AcetylcholineM1 23938946 24084572 25745809 34081327 26956278 24369942 33903011 31857581 38600635 30651400 31954983 31007244 0 0 AdenineM0 7642892 6402580 8369981 3830265 4460572 3521947 4312601 3510432 4370589 3543490 4438537 3451858 168617 799652 AdenineM1 308538 209176 446717 0 0 0 0 0 0 0 0 0 0 0 ADPM0 12405348 13894707 14380556 21732992 21173817 18241439 21717829 20897137 28402086 40601849 35234890 33257918 0 0 ADPM1 1608979 1140860 1870550 2744911 2128482 2019383 2711364 1987615 3621027 4990960 4198235 4363743 0 0 ADPM2 4021421 5142453 4142111 5018401 4250874 3750021 5072119 4755992 6294447 6366357 5302317 5515359 0 0 ADPM3 3221198 3309478 3265957 3388606 2991807 2652138 3621306 2662959 4359087 2984823 2452366 2413762 0 0 ADPM4 5055233 5904374 5420186 5815161 5364965 4624815 6461068 5034641 6276618 5925657 5378465 4442841 0 0 ADPM5 60835464 67723257 66508210 72079550 69634240 61042630 62952942 57128011 78889818 55056768 47576666 46044907 0 0 ADPM6 6582611 8254410 7028870 7738427 6772485 5581616 6634187 5499697 7746847 3868018 3449704 3673733 0 0 ADPM7 2299782 2592188 2856299 2643504 2248236 1711378 2372013 1731890 2651388 1243419 779776 920318 0 0 ADPM8 223669 626177 423829 130626 90467 94072 310918 83855 183647 0 0 0 0 0 ADPfromATPM0 38157905 44307267 43872088 56578803 53378656 52761736 67461840 62777726 92485187 94066411 81618346 76319738 0 0 ADPfromATPM1 5302254 6107105 6013889 7562007 6868738 5911606 8455627 7505558 12286546 11025556 10299241 8991795 0 0 ADPfromATPM2 12735154 15130486 14272792 12928220 11032139 11667430 13051220 12500651 20425966 13713492 13411397 11765195 0 0 ADPfromATPM3 9341518 11410726 10302814 9348034 8384055 7641182 9807068 8058228 12217246 6868002 6094988 5956279 0 0 ADPfromATPM4 15231794 18381357 17166967 15975590 14873153 14252148 17086634 14188772 22557224 13153164 11770975 10960571 0 0 ADPfromATPM5 170131357 201234747 191908404 184956459 169707510 169746958 184292751 164586448 252636577 120381644 107076357 101883487 0 87184 ADPfromATPM6 20993917 25400878 23025538 20974959 17298370 16327564 19337624 15773551 24534249 9821813 9049180 8894559 0 0 ADPfromATPM7 6884584 9139569 7711474 7212530 5768343 5394556 5510790 5129686 8830921 3037663 1823856 2112418 0 0 ADPfromATPM8 1098104 949725 1290002 640655 426923 317107 1111154 158047 1269392 0 0 0 0 0 AlanineM0 518332662 545992974 537755152 503820865 455380074 419416991 529165857 494621376 613838054 597912834 474710547 439321152 755977 2240288 AlanineM1 23385759 23395385 23610204 22368497 19424828 15762538 21907828 20486300 25293333 23194859 17394462 17208397 0 0 AlanineM2 28032455 29369694 29669475 26912264 22699435 19812796 26005347 21324502 29559097 12360271 10120467 10754945 0 0 AlanineM3 552463980 596851978 586641960 590941719 504875174 432623631 568045530 485638613 630378559 263611062 226881335 224160575 0 0 AlanineStd 23497605 24486339 25161766 24756030 25326300 24875873 25309479 26774141 30916506 25311394 24696091 25057758 0 0 AMPM0 2655384 1615634 2470699 4078052 3260825 2244464 3870799 2994781 4192140 7086981 8488384 9127513 0 0 AMPM1 0 0 0 0 0 0 0 284291 144716 1043712 515273 1059380 0 0 AMPM2 288303 149407 0 300020 187376 136061 0 0 0 519468 376573 670641 0 0 AMPM3 0 168721 123065 118138 122697 0 0 0 0 0 0 0 0 0 AMPM4 0 435311 891524 443436 156107 206629 0 448175 519297 567816 348498 852231 0 0 AMPM5 10277689 11716851 10392112 10880827 10046782 7767477 8518386 8429677 12381939 10374391 10129583 10739875 0 0 AMPM6 829750 629747 290499 545146 361888 411699 792588 522624 184787 291902 731283 160113 0 0 AMPM7 0 0 0 0 0 0 0 0 0 138974 0 134490 0 0 ArginineM0 3148469951 2841855264 2515987002 3018186408 2726353652 2436606269 3471260146 2904283233 3757932976 4811665969 2534351677 1884652770 236395 1482036 ArginineM1 203420860 185018853 165800739 197044329 176106196 155850078 225217559 189078382 246418376 319743802 161783852 117219274 0 0 ArginineM2 484309 145221 149580 834186 352052 116127 1138183 654110 155852 1526056 166512 0 0 0 ArginineStd 102827848 104539436 105797375 102171727 103583201 102550961 101055850 101029973 136339172 99141998 105499019 101599073 0 0 ArgininosuccinateM0 9837933 11062037 11027424 12832959 11629492 9934249 10432625 9468701 11914112 3161713 3094313 2607201 0 0 ArgininosuccinateM1 1291377 1161407 1477232 1546362 1385029 1144555 1064642 1099585 1319571 537424 256727 295658 0 0 ArgininosuccinateM2 994681 980644 1480990 1572256 1223259 677088 1067866 1221310 1251176 183554 219907 311615 0 0 ArgininosuccinateM3 542589 432289 349872 694706 300595 131052 331873 374818 327604 74677 32195 39799 0 0 AsparagineM0 2342655444 2460348064 2454584117 2332135534 2054742937 1997948790 2240219151 1986305196 2714930734 1977696015 1550042119 1379288267 0 0 AsparagineM1 109113227 116218444 115490351 107659561 96333622 93444741 107299373 94664199 129989427 93577281 74594493 66883001 0 0 AsparagineM2 16782564 20818610 18237226 18872847 14703657 15040295 19249886 15570818 23267871 15051866 11723888 10745114 0 0 AsparagineM3 8495765 8523383 8621904 8937976 6694424 7087493 8627772 7934795 11470730 4966990 4497474 3893572 0 0 AsparagineM4 513895 493588 507364 733304 516167 167507 455376 437048 749220 234663 341357 56459 0 0 ATPM0 54562284 59838756 60760100 91193447 79666117 70077812 97089143 92988007 134174053 117273714 110006155 115226726 0 0 ATPM1 8158560 8308411 8882126 11854006 9742077 9092472 13509625 12202378 17168360 15694702 15423482 14958165 0 0 ATPM2 20203711 20773489 23347410 22933812 18578307 15633456 22393000 21965213 30864547 19534890 18120258 18607263 0 0 ATPM3 13097682 14828937 14347128 15093274 12670245 10848556 14548143 13621678 19066273 8376942 8622720 9600794 0 0 ATPM4 23536848 25291183 26449334 25546840 21453565 19967194 24942625 23666552 33279837 18367471 17985270 19510734 0 0 ATPM5 259781278 272991880 292550899 302908700 258345879 228882180 271949127 264944434 371721104 155749673 153212256 153099445 0 96143 ATPM6 32280665 36814270 38573207 36748605 28264119 24605213 33793465 27883398 41901944 14877274 13520122 13844660 0 0 ATPM7 12959107 15133852 16221390 13851663 11715193 9267224 13448948 10401928 16966314 5580801 4611837 5786282 0 0 ATPM8 2168386 3166682 2743007 2207443 1294972 1296202 2135458 1670096 2761296 0 0 0 0 0 CarnitineM0 2135158418 2083425519 2187947608 1973068707 1677005978 1529905342 2078798112 1983551686 2304090764 2682879899 2569476464 2504923065 0 522259 CarnitineM1 164963994 162655655 172046580 154023963 133913519 117086520 160099061 160254433 178933311 209970194 203083085 201900373 0 0 CarnitineM2 1340939 1227461 2330200 1034483 1096933 467700 746804 1267598 1231014 1868189 2038758 956896 0 0 CDPM0 1011118 1254896 887128 1774668 2058694 1654545 1948377 2141507 2636680 3513277 3173603 2844275 0 0 CDPM1 0 0 0 0 0 0 151596 58669 0 83392 89722 0 0 0 CDPM5 1781081 1550402 1668356 1124361 1130143 520163 1361981 1056567 1251005 168116 251623 139803 0 0 CDPM6 0 74717 72370 0 0 0 0 0 0 0 0 0 0 0 CDP-cholineM0 447146 221330 181210 981184 1726484 1857451 1427374 1126847 1847920 3431743 3675919 2717771 0 0 CDP-cholineM5 0 0 0 523358 0 491142 191239 340589 172951 136701 165864 0 0 0 CDP-ethanolamineM0 874517 464626 630362 1471935 1698591 1771640 1587595 1938393 2050878 9361723 9999647 10370023 0 0 CDP-ethanolamineM1 0 0 0 72197 56799 36648 40825 76816 122834 901430 1157158 1377826 0 0 CDP-ethanolamineM2 0 0 0 0 0 0 0 0 0 0 185988 87238 0 0 CDP-ethanolamineM5 684461 457243 627028 503633 606555 300129 202535 395617 503679 1385017 1279735 1420486 0 0 CDP-ethanolamineM6 0 0 0 0 0 0 0 0 0 48604 42800 69431 0 0 CholineM0 1563821295 1496924196 1505527260 1565397559 1497453064 1343091442 1745303683 1571336656 2027589397 2244987993 1413414305 1250063935 0 0 CholineM1 85274886 82243976 78979954 83898683 78685220 74801034 92418061 86073386 111337940 122360927 79679266 64740888 0 0 CitrateM0 2182019139 2353113116 2291897694 1972479190 1872016883 1829301391 2092205853 1981035137 2631053773 1748432765 1618423354 1538142911 6001126 6531165 CitrateM1 239673066 266607208 257805975 219242927 204522972 194781461 244758773 226652293 308453177 271737034 252439350 238706575 61001 323548 CitrateM2 1060394876 1197595666 1180033834 998166815 896496122 855415529 1003831198 886737799 1228528368 561990073 508686029 495401680 0 1776329 CitrateM3 165624309 188382377 183946118 160571518 141442100 130612316 173390946 147803188 209438432 133553120 115913376 115143354 0 79297 CitrateM4 121947513 142974150 137160384 124080982 100859289 94004075 124707994 101045632 151999685 65787570 54396353 53577524 0 0 CitrateM5 58479739 69923236 65844842 56637892 48056710 43628816 58096222 46156832 67527562 22795935 18976919 19021027 0 0 CitrateM6 5707467 6573676 6652287 5957111 4563813 3240479 6021599 4766435 6789065 1689888 960182 512528 0 0 CitrullineM0 35323827 39506508 29225057 32189722 30395931 24722149 34976729 29122144 40340370 56273170 25612506 17681624 0 0 CitrullineM1 1286136 2187413 1855652 1953876 946742 1195012 1636235 1483708 1702743 3190508 1195005 392680 0 0 CMPM0 240336 260796 1064558 2269270 1228198 266473 135785 697799 1962783 493894 874552 1256168 0 0 CoAM0 826225 694122 804030 997126 908845 742282 1107870 1018490 1176393 1260815 1312120 1324399 44131 117675 CoAM1 234526 185530 223519 264455 240895 178678 302482 268036 323296 345512 356383 381537 4769 24188 CoAM2 256039 221903 268172 251649 219385 181195 262068 262461 295330 250850 259555 269312 787 11586 CoAM3 195346 171467 179633 179014 152664 121291 179828 162304 195664 131285 133631 138110 0 3857 CoAM4 286952 245734 275657 278751 215040 192722 261443 259426 295917 204805 214754 214766 0 12119 CoAM5 2972713 2492603 2884511 2907414 2426439 2077034 2640848 2662712 2973590 1649274 1798802 1841569 0 149771 CoAM6 789759 701203 789253 778325 604794 546822 707804 704784 798556 398520 430219 426363 0 39697 CoAM7 18058 24551 0 0 6804 18032 0 0 0 4599 16963 0 0 1121 CoAM8 33309 18613 4274 0 12915 811 7137 1858 5201 4737 0 1805 0 0 CoAM9 0 0 0 0 0 0 1135 0 1285 0 0 0 0 0 CreatineM0 12709881739 12951401538 13266516228 12965890214 11793414736 10802315911 13115858272 11712668223 15164029607 14227210013 12851663322 12234877440 0 366468 CreatineM1 545779277 563955480 582577132 572719719 508290055 474704506 588446851 517835771 660662378 637922585 558685954 543428526 0 0 CreatineM2 7945777 9020501 9828188 9439113 6559975 5914476 9146623 8427485 9604500 8936099 8524131 8065377 0 0 CreatinineM0 4631584136 4454266343 3785002995 2976748480 3015728263 3487866923 4866734140 4289284196 5047370097 4232388898 3892930375 3912152792 1080973 674847 CreatinineM1 208770188 199848877 170581025 130023125 133658077 155485049 221918539 191706741 225449822 188503643 170454341 174586063 0 0 CreatinineM2 2466808 1602944 1447606 1515968 1092755 1106400 2356037 1610600 2410586 2009120 1902801 1749996 0 0 CTPM0 4358399 5180295 5425970 8102704 8008284 7949078 8269861 8475672 11180438 9600373 9561877 9631841 0 0 CTPM1 227619 239652 375169 551796 547955 139275 424413 319249 501940 495361 696419 937282 0 0 CTPM2 427515 318167 294966 207972 252104 71889 366513 150925 475003 0 0 0 0 0 CTPM3 0 72657 291103 0 0 0 132995 70144 0 0 0 0 0 0 CTPM4 313890 95022 74318 202447 173914 76997 249185 68927 230357 0 0 0 0 0 CTPM5 7180540 8051752 8711000 6664606 5365581 4366220 5120208 5016339 6609088 1003040 833706 1092945 0 0 CTPM6 470031 345250 690378 448797 267164 0 385097 184622 419914 0 0 0 0 0 CTPM7 419766 535784 234858 417040 326241 0 201543 141543 216561 0 0 0 0 0 CystathionineM0 45069935 49842974 52267679 63928619 55471737 49211676 64779310 55919241 82149736 48289075 48170328 51053883 0 0 CystathionineM1 5431481 7018900 5891415 7505490 6981127 5251768 9413617 7417456 9176222 4866382 4445284 5593947 0 0 CystathionineM2 1297450 1299768 1004123 1078188 1521562 1017575 1465440 1071489 2351201 191108 295973 523903 0 0 CystathionineM3 6174407 7927917 7421601 5931240 5043126 4186285 5992340 4949471 7043512 1583110 835401 1180274 0 0 CystathionineM4 311309 225969 537932 406359 159318 324964 366230 0 371544 0 0 0 0 0 CysteineM0 36043966 30988824 33058197 41905383 30645079 33460002 30549471 37106368 45155739 34010564 20373231 13251243 0 0 CysteineM1 111758 434037 134895 250435 214620 203677 304458 343296 443489 0 0 0 0 0 CystineStd 928217 1111022 1621134 1039275 1103257 502447 449579 663511 942772 691488 1456584 1063891 0 0 CytosineM0 17820531 14755868 11500259 15408914 13614548 9970245 15110611 12131684 15355676 12614276 8352242 9608554 0 0 CytosineM1 765508 531990 220324 695683 425667 206545 724883 248948 751831 331595 71263 164409 0 0 CytosineM2 435920 206776 111464 0 0 0 152204 0 156420 0 0 0 0 0 dATPM5 205894 143734 377021 331252 219756 104980 182392 101518 351149 112347 0 0 0 0 DihydroorotateM0 501554 438009 791893 393735 402767 401293 168331 140420 283800 0 0 0 0 0 DimethylglycineM0 3575008 6573381 5126026 3294924 2227303 36321512 2221649 2738163 3474065 4752851 6022306 3140193 0 0 DimethylglycineM1 0 137894 52700 0 0 0 0 0 0 0 0 0 0 0 dTMPM0 197810 88513 147947 384560 290470 245863 350008 434460 589625 588865 388895 275013 0 0 dTMPM3 0 0 0 146418 313883 0 0 0 0 0 0 0 0 0 dTMPM5 91356 117790 157519 0 116307 162561 188359 89902 472065 0 0 0 0 0 dTMPM6 1838644 1465821 1997776 2817248 2159228 2441943 2171515 1817730 2855015 489318 445309 804413 0 0 dTTPM0 147701 299994 138519 391064 550498 91733 223363 227060 404093 0 0 0 0 0 FructoseM0 253827115 196492527 155824944 176507613 159240822 128618616 258014700 174370292 224698590 817331804 301591768 172771744 0 0 FructoseM1 16198599 11770039 9891367 11143115 9800947 8511277 16651925 11317824 14721763 55070707 19278487 10162643 0 0 FructoseM3 0 0 0 0 0 0 0 0 0 527267 980193 561305 0 0 FructoseM5 59196 423965 251723 127546 277571 79154 411547 97387 460990 2078674 1198557 1044010 0 0 FructoseM6 6789852 5017365 7094176 6852748 6733658 3950241 7227046 7341453 8192765 21200229 19101400 18945737 0 0 Fructose-1,6-bisphosphateM0 3054919 3374177 2833518 2482315 1358950 1792023 2029636 1690385 3961319 3845316 4076911 3928651 251261 0 Fructose-1,6-bisphosphateM2 0 0 0 0 0 0 0 217976 108924 230182 161636 303193 0 0 Fructose-1,6-bisphosphateM3 7571495 10199668 9309713 7550242 6028141 6212872 7576708 6576131 10062085 11977418 10185283 10811846 0 0 Fructose-1,6-bisphosphateM4 371652 455724 380720 220030 129370 288451 474500 172223 842520 515386 555398 586250 0 0 Fructose-1,6-bisphosphateM5 3742581 4777282 4178535 3664820 2384463 2080101 3470916 3368204 6364014 6938999 7188484 6304913 0 0 Fructose-1,6-bisphosphateM6 53969154 69543833 63996184 59082747 41413706 39178144 59829499 53627378 92523739 102127666 98153441 97808089 0 399040 FumarateM0 79336558 75769242 81351869 77099717 74294929 75140159 70749256 63673282 79708316 53565706 48839952 48207030 6602404 7216572 FumarateM1 4813622 5178841 5964210 5328650 4943377 4480026 5591203 4817014 5578207 4271162 3755212 3632836 0 85657 FumarateM2 8300055 9033372 9829703 8713201 7609824 6394221 8391101 6450988 9211654 4529574 3746804 3053946 0 0 FumarateM3 3540296 3754908 3877400 2482380 2111482 2681711 2439333 1970234 2253813 663020 379197 818423 0 0 g-GluCysM0 0 219762 130382 305892 184855 135477 0 286072 319639 0 0 0 0 0 GABAM0 56322632 59768106 57624770 67447429 58803011 58178221 53184572 50807194 76950300 23668463 27988392 28789085 0 182554 GABAM1 1856958 1659058 1507596 1780290 2242627 2186213 1838472 1465771 3165213 527840 886436 496321 0 0 GDPM0 785045 610790 639458 1231664 1301782 1366307 1233776 1625884 2313251 2050633 1968759 1575438 0 0 GDPM1 0 0 0 0 0 0 59208 0 264561 112134 83821 0 0 0 GDPM2 207473 252525 226103 67696 130382 88338 144517 231753 90087 299703 311064 211724 0 0 GDPM3 52912 0 148747 0 112586 69626 136953 57401 96156 0 0 0 0 0 GDPM4 300327 173014 65064 182892 165293 136480 91025 0 636731 175871 91572 300466 0 0 GDPM5 6095629 6403738 6138239 6749602 5560902 6034076 6734212 6046244 8213954 6482011 4591958 4302199 0 0 GDPM6 488846 608345 459064 633952 181516 168113 686690 242620 703296 236260 112170 218901 0 0 GDPM7 60767 0 96538 0 0 0 0 52868 82505 0 0 0 0 0 Gluconic acidM0 48080385 49685012 49166185 57383385 49369982 50652418 63834554 51556118 70974833 96364334 49736334 41059930 0 0 Gluconic acidM1 2949932 3206192 2346339 3505569 2806618 3047036 4069941 2848022 4174456 5609984 2921983 2374707 59870 0 Gluconic acidM2 0 0 0 0 0 0 0 0 0 54573 46640 42851 0 0 Gluconic acidM3 726204 0 850068 1033789 749020 783140 1035718 1095491 1780369 1404582 835449 1314325 0 0 Gluconic acidM4 65544 119118 94940 0 0 0 258167 101936 127043 55850 45616 113769 0 0 Gluconic acidM5 3868499 4433133 4584717 4601658 4188893 3723870 4559566 3937747 6200926 3178794 2752484 2916894 0 0 Gluconic acidM6 40695236 46937427 45372805 47058701 42953244 43407526 49446134 41871050 65875113 31303047 29633259 30521688 0 0 GlucosamineM0 432428633 253134962 148986815 93660743 95441722 118550667 383538852 227587495 225520781 753469428 300499501 179804735 0 0 GlucosamineM1 30058239 17269208 9377607 5907553 5588891 8118331 25824703 18188838 15460364 63275731 22676464 12369922 0 0 GlucosamineM3 0 0 0 0 0 0 0 0 0 0 443412 524142 0 0 Glucosamine-6-phosphateM0 1241818 1238275 1192169 1085982 921380 1099965 1057621 1051818 1134893 2192501 1850635 1765907 0 0 Glucosamine-6-phosphateM1 0 0 0 0 0 0 38777 0 37531 0 0 0 0 0 Glucosamine-6-phosphateM3 105498 82642 154373 183990 45224 0 41277 43891 46263 43046 104211 114976 0 0 Glucosamine-6-phosphateM5 49974 41742 0 47597 38826 0 0 0 0 0 0 0 0 0 GlucoseM0 198616539 142927404 120963217 127729200 111583465 96937796 190921875 149240937 157679914 6066226850 1331500160 268573064 0 193480 GlucoseM1 12590334 8537417 6127892 7977198 5783644 5887441 9991879 9840995 9256456 416469204 88001778 15838958 0 0 GlucoseM4 5444797 3252541 3077126 2224532 2626655 1368727 5267868 4427815 4483956 1140893 4405729 3812607 0 0 GlucoseM5 185261696 135619782 101280254 126022991 113223783 93118411 183285636 132411205 155677119 118725863 148178058 133070159 0 0 GlucoseM6 3052731001 2250405375 1660565324 2086382243 1839025264 1543587545 3056218367 2197050881 2551396389 2000536429 2375241045 2205771129 0 0 GlutamateM0 2738776806 2996651298 3023408443 3347944719 3032628489 2812279122 3005002555 2881351363 3984528933 2130873970 2027191719 1954691822 881669 1002342 GlutamateM1 218735237 249298078 251797452 277436674 245998344 223305495 266531317 250724143 350747163 288701432 273172120 274634210 0 0 GlutamateM2 514737522 599955657 604407027 680145968 567996247 509352704 650423380 564443544 836357312 506892732 486481224 483480838 0 0 GlutamateM3 88833219 101591459 103665900 118250373 93099596 82879526 119901792 100949384 153522256 118765936 108788155 107430003 0 0 GlutamateM4 57076213 64777541 65778340 76023163 61879773 51365032 78728827 61858376 95396161 54216121 48045665 48751058 0 0 GlutamateM5 17904422 20510399 20172903 25188835 18960372 15505853 25067197 20128862 30278027 15413340 12891936 12739325 0 0 GlutamateStd 29724489 30091911 30596185 28522986 28562004 29267349 27441047 28673085 36145875 22213411 28193337 27953619 0 0 GlutamineM0 6223241006 6412831802 6651458872 6545157530 6018665508 5919518948 6349067898 5972634010 7880134752 6975352255 5188697534 4786943709 52903 65194 GlutamineM1 352291623 362817477 376826291 372026592 336785167 331707791 354977916 339752527 448220833 417898027 310883017 292333074 0 0 GlutamineM2 29635896 33496502 34874998 31302922 24192517 21889725 35572883 29121332 42500095 69537046 60785056 57867560 0 0 GlutamineM3 3915284 5231011 5161197 4180091 3399048 2538084 6343537 5055710 6523918 15126868 12493088 12957749 0 0 GlutamineM4 2342639 1982222 2256898 2684368 1430838 1106416 3157236 2908367 4549447 7383706 5261645 5953278 0 0 GlutamineM5 566526 81937 432292 247413 346648 0 801533 333128 394078 1722174 1241386 1081405 0 0 Glyceraldehyde-3-phosphateM0 594160 118013 542101 62669 84979 0 536443 372551 472546 554252 135379 257444 0 0 Glyceraldehyde-3-phosphateM2 0 71288 74677 0 0 0 0 0 0 0 71497 124458 0 0 Glyceraldehyde-3-phosphateM3 7813774 14032219 10287022 6880300 5321729 6920760 9725406 7358743 15747922 16269322 14058505 11919009 0 0 GlycerolM0 11695701 6621701 8802004 9720630 9900368 6627562 8640361 10081017 9423195 11621591 9773377 10791876 0 0 GlycerolM1 0 0 0 0 0 0 0 0 0 0 57952 96882 0 0 Glycerol-3-phosphateM0 5128416 4727282 4987898 5824648 5465377 5907994 4367545 3657620 4740952 3250844 2709872 2538407 0 0 Glycerol-3-phosphateM1 117598 0 185709 0 0 0 0 0 0 0 0 0 0 0 Glycerol-3-phosphateM2 0 0 0 305696 373731 142372 186799 0 284775 160360 65137 0 0 0 Glycerol-3-phosphateM3 6112218 5060599 7215079 9855779 7783143 8736826 7487551 5815573 7268956 1348456 1990310 420631 0 0 GlycineM0 585639914 616818703 625881769 669362918 599355249 565032809 638711297 601118314 769104458 415716731 352416224 336006801 0 0 GlycineM1 17086074 16754587 17578149 16672584 15793120 12879708 16063024 16714244 19595053 10150444 7746810 7012150 0 0 GlycineM2 120246538 130987973 133669085 117639316 98540254 88283632 108833680 95388963 126648159 32640017 28164701 26969094 0 0 GlycineStd 6455976 7494842 6575138 6843545 6875816 5639701 5957066 6164243 7937003 6214622 6036689 6312140 0 0 GMPM0 167197 200860 0 244534 284819 219523 204532 169826 424709 522982 686472 692198 0 0 GMPM2 0 0 0 108350 76361 55331 0 0 0 147285 60166 43594 0 0 GMPM4 0 0 0 0 0 0 0 77832 70322 0 124759 44525 0 0 GMPM5 1984213 2939837 2515766 2019192 2059725 1351230 1696512 1825608 2103665 2061674 1704125 1680187 0 0 GMPM6 60069 145297 113020 0 0 0 0 0 0 0 0 0 0 0 GTPM0 4944097 4634522 5321007 8349768 7317928 7310712 9869408 8345900 11907187 9544139 9794970 8118792 0 0 GTPM1 305473 290257 292450 738630 584359 160728 501521 493230 1039260 789547 1322398 651892 0 0 GTPM2 2537578 1600136 1956262 2199939 1947342 1418085 2047462 2149616 3519627 2408143 2519595 2493459 0 0 GTPM3 1133093 1230967 722423 1315610 1246766 924538 1239515 768962 1388876 666314 431637 340071 0 0 GTPM4 2358817 2678399 2458385 3312490 1920091 2035935 2673687 2586720 3866014 1928642 2280117 1751688 0 0 GTPM5 35253886 37150173 35854040 39036753 35083106 29789938 33257246 31406364 45596085 23930210 21637781 21887889 0 0 GTPM6 4288664 4939320 4445350 4812346 3302118 2335379 3876997 2720395 4131971 1299045 1119221 1139497 0 0 GTPM7 976367 1750124 1319800 1051458 1218874 591385 893187 848906 950822 85612 334654 0 0 0 GTPM8 184333 0 105448 0 0 0 0 0 0 0 0 0 0 0 Hexose phosphateM0 3826051 4492685 3276124 2839206 2999867 2382691 3722264 2806491 4244337 4217349 3234355 2492801 520121 0 Hexose phosphateM1 0 0 0 0 0 0 0 0 0 116739 159377 0 0 0 Hexose phosphateM3 0 270557 711871 242093 340944 362706 154259 180505 250214 175378 202513 203163 0 0 Hexose phosphateM5 104180 288204 399199 275075 222460 149613 167369 212750 172912 357618 145675 249905 0 0 Hexose phosphateM6 7810239 9198637 11312981 6791157 6532192 5840460 7323195 6339756 9812374 8869307 7394901 6807613 0 325584 HistidineM0 154764379 119920644 85413270 111984232 94815898 85177806 166993159 119992616 150544377 420922909 176079590 115436606 0 0 HistidineStd 94666571 95283261 93295848 91034659 95471334 98190341 92575244 93185489 120358369 89204918 92606671 91779248 0 0 HMG-CoAM0 0 0 0 0 0 0 1131 0 1097 0 0 0 0 0 HMG-CoAM2 1273 5137 4600 1385 4390 1401 1351 3655 4990 0 0 0 0 0 HMG-CoAM4 1200 4078 0 1589 2493 0 2510 0 2534 0 0 0 0 0 HMG-CoAM5 23725 22808 24483 25302 17311 18247 20151 14487 19327 3968 3713 4951 0 0 HMG-CoAM6 6840 12342 9163 4610 9893 5441 6383 2971 9599 0 0 0 0 0 HMG-CoAM7 37343 31724 28040 28363 22671 19828 17454 13142 16419 0 0 0 0 0 HMG-CoAM8 5855 5391 0 4953 2464 2917 1234 2574 1437 0 0 0 0 0 HMG-CoAM9 15891 14732 18293 12497 8662 13519 13096 5246 9878 0 0 0 0 1009 HomocysteineM0 1021114 642864 508197 866004 671179 606151 1110765 617363 916617 1527070 541482 285511 0 0 HomocysteineM1 5277206 4092236 3950743 4656355 7393500 5599522 6941890 5876691 6435786 22394550 10907891 8266071 52495 174256 HomocysteineM2 245623 128573 0 136173 201142 103917 197914 100781 199546 1037476 368334 161479 0 0 HydroxyprolineM0 3573897174 3714831880 3715920166 3761846563 3351731587 3147813853 3587623357 3324836034 4406244408 3366272181 2625059297 2418592966 0 102272 HydroxyprolineM1 193847439 201618993 205712174 204398125 182057221 169188606 194986470 181571857 244067510 188159335 144169170 131812833 0 0 HydroxyprolineM2 2877390 3066141 3568786 3986000 3336141 2998095 3134712 2946129 4042277 2916204 2272545 2717497 0 0 HypoxanthineM0 10016753 5042618 5588555 8363708 13256199 8101501 10128634 9286938 9945014 36307771 20647251 14916368 0 0 HypoxanthineM1 423305 95482 0 99536 215748 84754 247347 509911 0 1887549 1040767 102111 0 0 InosineM5 0 0 0 0 0 0 0 0 0 0 496163 228567 0 0 InositolM0 912986598 876866846 829539772 1841107820 1564112449 1410453778 1925859240 1662404879 2114926425 2458401765 1915131125 1752512253 0 83216 LactateM0 480179947 366518242 405312954 406506555 386973342 348593448 495928602 396045727 522070080 1014521761 471958953 392663686 0 0 LactateM1 17914126 15816372 15618014 16255585 14467958 14062965 19715798 15286592 21412340 32306821 16211187 13170008 35392 0 LactateM2 17463094 16732910 12780157 14734903 12269034 10794828 17555056 13045362 19320391 3709166 5888661 5970937 0 0 LactateM3 425026053 412881853 330905643 387687389 308917447 271364959 438801481 310034228 462301935 149457887 154532393 131486592 0 0 Leucine-IsoleucineM0 6073045581 5136583428 4666894112 5273638913 4617220810 4138800599 6106633329 5053919420 6191590382 11294943350 5484665684 3856188335 1639955 1694094 Leucine-IsoleucineStd 694901063 675064376 690068669 703074432 708097691 706104549 667285578 694091282 846279406 639266383 702995496 715467247 0 0 LysineM0 226091591 212016494 175905087 212922868 197514824 185353657 265660456 209824941 284815178 329440242 174696172 131751002 148716 0 LysineStd 39663206 43044741 42115128 38613331 40604345 43034296 38847695 39430233 57340789 28401900 34406837 37200979 0 0 MalateM0 990633379 1127829650 1117378100 957760559 944318766 957666405 829775039 777365542 1011623229 474895891 425223798 380766305 12756023 14131623 MalateM1 85562795 97942756 96759546 82939559 77456739 79263711 77624434 67800306 90960321 64627822 57787874 49329882 168324 502671 MalateM2 147314401 175569878 168144107 144405878 136546227 129305334 135791635 114726545 155975465 80923484 69790247 60885114 0 344455 MalateM3 58467395 70453976 69375182 58635222 48756430 47929239 48008193 41768169 58935176 26921087 20787720 18717987 0 0 MalateM4 9859869 11093887 9985624 10280635 7763327 7415976 9673353 6809121 9797928 4435218 3295710 2989670 0 0 Malonyl-CoAM0 3278 1831 5669 0 0 0 2421 4768 0 22177 19729 18613 846 0 Malonyl-CoAM1 0 0 0 0 0 0 0 0 0 2675 3552 7019 0 0 Malonyl-CoAM2 0 0 0 0 0 0 0 0 0 5686 3389 5415 0 0 Malonyl-CoAM5 7113 10286 7435 6889 4810 4381 4739 3931 5138 13485 17067 12735 0 0 Malonyl-CoAM6 4136 1281 0 950 937 1289 0 0 0 5174 0 3435 0 0 Malonyl-CoAM7 2320 0 4445 3099 2522 3821 3777 0 4314 5942 3462 5207 0 0 MethionineM0 574598325 519878681 465341279 555612468 488420203 465065498 612491200 531913240 673575564 974965219 478292961 351147055 0 0 MethionineM1 30521581 29400983 25623273 29364569 27059947 23637455 35260450 27622083 36882790 51195410 25667395 18970278 0 0 MethionineM2 192143 215246 290704 338933 97880 0 320620 109090 387798 180028 85339 0 0 0 MethionineM3 587376 639309 368201 296249 401805 226593 157560 318660 472624 0 0 0 0 0 MethionineM4 11609563 11183316 11429836 10712231 9129251 7588865 10879131 8461356 11539109 3219672 2311179 2599639 0 0 MethionineM5 1645601 1667987 1444987 1188037 1626387 1655169 1805136 1934253 2450317 1601284 1502578 1319902 0 0 MethionineStd 134969923 136093069 133666114 126252804 138113876 139133619 131624293 136609250 162881153 122128323 132187378 136682639 0 0 NAD+M0 8476811 10687709 10911069 14701571 13015352 12004202 16721615 14553097 20937678 17725567 19793122 18548777 0 0 NADHM0 0 0 0 136473 177437 0 0 0 0 0 0 0 0 0 NADP+M0 515029 536581 173518 569773 211872 953878 333081 721835 757274 824009 475551 440983 0 0 NicotinamideM0 468937848 398005499 412551506 410910319 316332356 236846403 374101815 342731357 380774374 741291968 443817049 280094907 310273 962216 OrnithineM0 237665311 251645168 215246391 248499959 215983810 195276541 296774938 224500956 322512871 309779740 118660174 87494519 0 0 OrnithineM1 12516958 12172771 9596546 11551801 10946494 8827514 13878254 11714792 16238709 14100466 4090129 1947254 0 0 OrotateM1 1007527 1293126 1181069 383688 296917 187486 179486 175019 327005 0 0 0 0 0 OrotateM2 2455647 2192918 2940438 1201000 555326 356791 93968 136589 597197 0 0 0 0 0 OrotateM3 601148 724703 749144 327508 93174 36915 0 98722 90137 0 0 0 0 0 OrotidineM0 1019664 810302 1087884 1723399 1206507 1028566 1638764 1368046 1972622 1558212 1332157 1256508 0 0 OrotidineM1 0 0 0 0 0 0 64520 37659 41921 77789 34771 35899 0 0 OrotidineM2 463556 51204 279568 131518 100790 90908 313706 160717 637849 0 0 0 0 0 OrotidineM3 250553 35508 114608 106754 130274 82310 88413 0 87187 0 0 0 0 0 OrotidineM4 391135 293933 500320 416333 359764 209734 592662 339304 371520 0 0 0 0 0 OrotidineM5 7699750 8979116 8816515 9500322 7264477 5954877 7409663 6459649 8889418 1931338 1717333 1589316 0 0 OrotidineM6 419777 259399 393750 309973 305799 352566 408023 203938 484192 0 0 0 0 0 OrotidineM7 537773 685678 538937 751395 334051 195283 434788 393877 540933 42425 0 27881 0 0 OrotidineM8 185352 253622 130521 84181 0 86520 71637 136488 57610 0 0 0 0 0 OrotidineM9 34125 42635 0 0 0 0 44697 31310 54814 0 0 0 0 0 PalmitateM0 2227274653 2241248673 1663642692 1917294139 1873675120 2434828554 1798209001 1842049628 2297192324 2109037387 2258841776 2463062843 18098401 19821720 PalmitateM1 384105903 388433501 284953572 330252492 323515909 414498874 307826132 314234327 392677355 356648969 388187825 429115193 2078533 2963433 PalmitateM10 0 0 0 297080 282120 0 149392 0 187331 0 0 0 0 0 PalmitateM2 32866923 33211511 25704944 29839691 28053220 34546065 30358190 27605459 37004160 34781372 37203676 42121736 372729 125740 PalmitateM3 499109 156112 419145 1626716 780685 817818 1038330 117671 1409248 1104729 746882 1819316 0 0 PalmitateM4 3190470 787723 815983 4221715 2188933 2583090 5316931 3183732 3452981 2968838 4356116 4580401 0 0 PalmitateM5 0 0 0 202196 0 95805 0 0 0 0 211458 213027 0 0 PalmitateM6 2335280 477894 1649303 2375965 3161075 871720 3267343 2548298 2641699 1190196 636680 868181 0 0 PalmitateM7 0 0 0 0 0 0 160751 207775 0 0 0 0 0 0 PalmitateM8 1315747 301208 437942 723042 578173 0 1670859 299673 189354 0 0 0 0 0 PhenylalanineM0 779290279 672917592 584193255 672736645 585971383 544114235 741759567 616305089 792593353 1350595606 712355028 507235843 94522 0 PhenylalanineStd 276598333 281723923 283164856 282181257 283919749 288531859 264790662 267616781 349326026 244167608 272699339 276248010 0 0 PhosphateM0 289045880 227219615 181358264 195406606 178709704 161755122 293277803 201748782 235202927 537866055 229032472 150243800 4357371 6975334 PhosphocholineM0 5091825986 4997085456 5613672244 5039835641 4197067430 3564507388 4289387186 4176692554 5221055940 2258336856 2316287046 2336978665 8655164 33949354 PhosphocholineM1 275136380 263017730 299656912 261287523 222329972 189685901 227484934 219821871 280624061 117456678 119193104 121701513 0 0 PhosphocreatineM0 1161326442 1146804971 1184661907 1281201687 1060355078 979381708 1130539560 1041580042 1391908243 1129923675 1083697434 1021949916 0 704365 PhosphocreatineM1 47464522 48297070 51131570 54768584 46751052 39742091 48474250 44736848 58743728 45605385 45092310 43495048 0 0 PhosphoenolpyruvateM0 121315 0 72291 96147 49769 0 135570 51668 173541 0 0 0 0 0 PhosphoenolpyruvateM3 315653 683503 668859 322754 156173 276092 342474 303257 581455 161971 284762 252565 0 0 PhosphoethanolamineM0 9258499 7536958 9709091 13193193 15917326 18769454 15070211 17935371 18402743 368569730 363846679 352595183 0 1027076 PhosphoserineM0 7790261 11341543 7289419 4306089 4331823 7183783 11049128 5684047 17629497 5852212 3552001 2712508 0 0 PhosphoserineM1 0 388874 80245 0 0 0 501037 82366 490457 112306 105123 0 0 0 PhosphoserineM2 787050 1604040 784856 408041 63010 649424 2220211 691407 2939362 877053 205254 217374 0 0 PhosphoserineM3 0 0 0 0 0 0 54117 0 106374 40344 0 54672 0 0 PipecolateM0 44460752 44176656 34972452 41106817 39392302 37322614 52703163 40591678 56408629 64290309 32970450 27750211 0 0 ProlineM0 3049548097 2907206786 2891588171 3364197430 2914162079 2639225826 3254672857 2883695931 3686336116 2775670375 1908267852 1676439535 890418 0 ProlineM1 204933411 195505599 193470198 232569095 194116234 179510461 229924822 197333419 267428533 213740668 160245817 142379684 0 0 ProlineM2 229753385 241358566 236463218 310820710 250509659 213768415 312515725 266154274 366015752 200632362 174849776 169738519 0 0 ProlineM3 35083087 37941089 37112272 48131154 37070380 31944364 52308571 44378356 58213292 37688613 34652586 33721466 0 98341 ProlineM4 17842254 19330348 20528373 23993776 17543570 14799932 26262208 20232612 28607371 13257507 11406951 11786694 0 0 ProlineM5 4646638 5234957 4704228 6785187 4514970 3338936 6347491 4712166 6544200 3175696 2722406 1885160 0 0 ProlineStd 166387437 162201702 159621081 159187842 165807564 163738286 158923136 163793863 198348629 159164883 160977578 159540417 0 0 Propanoyl-CoAM0 21088 15641 17724 31059 29502 21928 33039 35704 26261 32159 26647 16982 0 0 Propanoyl-CoAM1 3107 7863 6448 9945 9025 5865 11059 8852 11615 13715 10643 8638 0 0 Propanoyl-CoAM2 2481 0 1027 4237 2804 3076 4169 4971 4281 0 4970 5482 0 0 Propanoyl-CoAM20 0 0 0 0 1102 2518 0 0 0 0 0 0 0 0 Propanoyl-CoAM3 1222 0 2058 3506 2553 2374 1234 1301 0 0 0 0 0 0 Propanoyl-CoAM4 1407 5775 9889 4084 2484 7683 5813 6936 8627 3754 0 976 0 0 Propanoyl-CoAM5 110947 103773 108739 103164 110720 89861 114238 112351 123611 51602 50101 37886 0 0 Propanoyl-CoAM6 35872 37005 42536 43456 44751 34591 37985 38745 48278 12782 18166 15512 0 0 Propanoyl-CoAM7 7035 6308 14100 16120 14956 8366 12461 11534 16427 1017 2044 2131 0 0 Propanoyl-CoAM8 1047 0 2234 1270 1061 1128 0 0 0 0 0 0 0 0 PyrophosphateM0 4507833 3985482 4394828 9896497 8989540 4551676 5678344 3994917 6798972 16715217 10379844 5342660 0 196365 PyruvateM0 2352369 1195242 2047673 1360771 810219 1589098 3536610 2425453 2448959 80546211 19691015 4478031 737645 229610 PyruvateM2 417019 105496 0 187235 123815 0 390513 142341 0 0 448104 452057 0 0 PyruvateM3 36114311 27300045 22927685 26011680 21599377 19901069 37402792 27441935 31390116 22876208 27546540 28010018 0 0 RiboseM0 8157260 5034057 4015464 5391257 4799237 3235596 7836327 5394187 6204524 25319952 9686257 5305194 0 0 RiboseM1 139380 71722 0 0 0 0 0 0 0 562047 247481 0 0 0 Ribose-5-phosphateM5 101493 0 345091 598820 180482 0 285785 218173 459904 172055 168638 341243 0 0 S-Adenosyl-L-methionineM0 18836858 18262488 20192808 33846089 29030516 25140542 33020772 32591495 43743927 40207871 34902863 33618258 0 0 S-Adenosyl-L-methionineM1 2853043 3726675 3529489 5531118 4444379 3260555 4977263 5524217 7402375 7010458 5841672 4920762 0 0 S-Adenosyl-L-methionineM2 6088342 5923129 5583122 6682829 6151837 4498082 6766988 6293147 8032820 5686013 4790730 4827063 0 0 S-Adenosyl-L-methionineM3 4485106 3846247 4263735 5551887 4585481 3547260 4476212 4339385 6915805 2765549 2023426 2433152 0 0 S-Adenosyl-L-methionineM4 7766361 7284516 7204478 9599596 7778438 7344033 8686255 8154366 12324122 6284107 5233990 4567242 0 0 S-Adenosyl-L-methionineM5 86706702 88009716 87910919 111046997 96144437 83334855 95567616 96505818 126270345 52991613 49125434 46644760 0 0 S-Adenosyl-L-methionineM6 14782189 15258722 15514968 17775849 13807039 12596890 17203394 12907780 20257212 7198888 5691430 6307111 0 0 S-Adenosyl-L-methionineM7 2231406 2607776 2772629 2844912 2386735 1941531 1985093 1771237 3669479 243546 618974 424283 0 0 S-Adenosyl-L-methionineM8 549945 407882 467502 634090 432896 340890 364688 0 492032 0 0 0 0 0 S-Adenosyl-L-methionineM9 1280666 689057 1295955 1338948 1481842 575885 1148973 1208611 1566516 0 0 0 0 0 SarcosineM0 117032797 93817493 108958368 147036121 127110928 101436852 151843031 133458765 150722583 153650051 137010387 135755695 1886151 5822834 SarcosineM1 3057315 2465918 2732602 3318690 3293593 2353329 3450479 2764850 4439274 4245597 2541525 3144644 0 0 Sedoheptulose-7-phosphateM0 110399 0 135878 138001 114790 291333 126036 0 293665 0 0 0 0 0 Sedoheptulose-7-phosphateM7 1013602 1039543 1405984 1348629 1428990 1663009 1108663 547533 1150891 171566 314594 0 0 0 SerineM0 523676146 569471542 535738794 532168365 484658132 480227073 538202097 475677302 692837045 589287303 436483522 395024898 0 0 SerineM1 86975380 99763162 91469062 83474568 71774334 66260455 89075665 70225050 108376404 52585508 41996274 38109639 0 0 SerineM2 51079238 53511344 52064066 52877470 41922968 35527497 49164664 41291795 59808778 21859750 18649748 18725351 0 0 SerineM3 206502991 227806767 215613119 152666833 131387864 119923857 140422575 120873529 172921394 45498557 39321502 37988872 0 0 SerineStd 19653201 18986720 18378678 18298177 18410874 19466400 18499504 19014287 23621274 18787370 19309354 18965363 0 0 SorbitolM0 625326196 429552047 316425759 378905638 318641645 305182486 620277500 404501581 486734523 1376496587 577493917 365451957 0 67406 SorbitolM1 39039694 26340313 19037796 22444602 19043309 19784215 39608576 26024025 29472978 88315763 36179042 22866689 0 0 SorbitolM5 0 0 0 103600 0 128710 0 0 0 339899 287952 164899 0 0 SorbitolM6 1971928 3068762 2215552 3582223 3786287 2378328 4869480 3800927 5372410 8103190 8752546 8076469 0 0 SuccinateM0 65918067 35463296 65156118 60724675 60038214 59437791 83776885 64030878 66769478 107426680 61856421 76503855 0 4612840 SuccinateM1 2880664 1153842 2601330 2262520 2303904 2698150 2809442 2166395 2485568 4603870 2553453 3343900 0 60151 SuccinateM2 1737570 1099455 1319645 1513386 1202336 705087 1513596 1095109 1436069 1091356 459213 681434 0 0 SuccinateM3 104618 158674 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoAM0 157781 211639 190801 265939 255988 252226 273402 266510 430590 552903 493063 433581 0 0 Succinyl-CoAM1 55234 78410 73689 106598 99045 88937 118206 105987 152848 252544 220043 213794 0 0 Succinyl-CoAM10 1239 3558 4307 2941 1511 0 5280 0 1399 0 0 0 0 0 Succinyl-CoAM2 100396 138969 119666 150419 139495 129261 150766 137241 227832 291273 254129 212498 0 0 Succinyl-CoAM3 57799 83097 79722 90623 85187 73706 80661 79704 144555 144624 134328 110844 0 0 Succinyl-CoAM4 89060 116276 113797 116750 108662 84174 110931 99693 164107 154073 121120 116599 0 0 Succinyl-CoAM5 698714 919011 902260 883259 816932 775337 798166 710282 1175373 759866 664821 596883 0 0 Succinyl-CoAM6 277254 369770 355731 346131 301041 292400 303658 250223 461750 320882 284559 239954 0 0 Succinyl-CoAM7 232817 318382 294714 288500 231791 247443 259672 221401 386563 266562 236836 190117 0 0 Succinyl-CoAM8 80956 115467 109188 103063 88241 84082 98987 78118 144148 101772 73393 59413 0 0 Succinyl-CoAM9 20002 36147 35440 31839 15781 20531 38737 18798 47727 21395 14425 5307 0 1151 ThiosulfateM0 17831983 14262366 12632147 12883679 12566772 12293472 14525329 12630459 13572079 17642697 14694872 10457437 9943780 8749197 ThreonineM0 807913841 804342822 794004242 822316495 746735257 685405065 760635373 737273193 926728515 639047797 480638914 448776357 0 0 ThreonineStd 38996435 37857928 36304916 37943648 39818827 38644363 36823035 39896688 47619080 41350125 41443694 42430038 0 0 TryptophanM0 161580199 143449008 119419574 124266345 111387981 101143238 158202689 129921706 157178622 344748537 159257278 116251128 0 0 TyramineM0 24980894 22907186 16060925 9508586 10018774 13854632 24781073 20292483 24126927 14697982 12066504 15029450 0 0 TyrosineM0 354667959 260795085 242123883 239794608 197199654 165193600 275293737 230631969 256438810 618188510 293105847 214965225 0 0 TyrosineStd 109368797 106255027 113276424 116349079 119860698 112778855 111119355 121668755 142193548 106445350 116292689 127525806 0 0 UDPM0 2247659 1978253 2222016 3784617 3567088 3467645 3979161 4027179 4950515 8794754 7168446 7146357 0 0 UDPM1 0 0 0 112522 99700 0 150562 109785 132892 438087 596282 205570 0 0 UDPM2 264651 321734 571524 316640 166864 160121 240645 246710 605972 346879 306966 165417 0 0 UDPM3 122930 294291 385004 272511 81348 75072 211341 210249 263661 169528 159884 75500 0 0 UDPM4 336043 656332 419654 489374 184143 167091 491479 396801 701652 161779 146456 89868 0 0 UDPM5 9447541 10256701 9147663 9201201 7745943 6365262 10087877 8038240 10743452 4704915 3910816 3684773 0 0 UDPM6 899700 1151177 795680 865459 728987 279312 852365 716040 1190145 529004 342035 231073 0 0 UDPM7 879962 814425 438167 484614 685508 185568 561177 534749 554204 311943 154239 0 0 0 UDPM8 0 0 0 55542 45023 0 257063 0 98750 0 0 0 0 0 UDPM9 0 0 0 0 69600 65814 0 0 0 116619 59693 126636 0 0 UMPM0 1514871 1788329 1213888 808241 1189820 1213651 1248589 1325732 1483576 2097736 2106019 2273621 0 0 UMPM1 0 0 0 0 0 0 0 74041 65977 60337 0 60178 0 0 UMPM2 45541 145625 68091 0 0 0 0 0 0 0 0 0 0 0 UMPM4 133154 221888 147533 70565 58308 0 178525 83229 96729 0 0 0 0 0 UMPM5 3717966 4697446 3369407 2506899 2038732 1629371 3235869 1836033 2672747 770753 857259 601715 0 0 UMPM6 143654 379215 242631 173682 0 59663 158976 52622 162949 56289 49030 0 0 0 UMPM7 241436 493127 42475 53564 58164 0 53350 0 131971 0 0 0 0 0 UracilM0 50629828 37234735 37580239 42392803 37923003 32337838 48582745 37220160 49896485 97194166 46131210 31318969 0 0 UracilM1 2277679 1139555 1429426 1315217 1881408 994752 1497586 1232153 1911843 3832084 1631370 1173472 0 0 UracilM4 452733 264521 378795 421587 138071 310130 572895 422341 443413 367423 68486 304071 0 0 Uric acidM0 18080707 11545188 6590165 9552350 10122233 7717328 18998640 12355237 12704316 45734238 19476017 12097094 0 127565 Uric acidM1 448280 278984 136342 248812 205725 81129 595265 320653 248963 2163450 783041 250682 0 0 UTPM0 4009889 3860814 4718159 8291582 7532661 8214477 7973916 9067286 12057240 13174885 12871986 15005013 0 0 UTPM1 204364 357239 0 626615 521340 350069 626050 518714 383088 796357 951586 914328 0 0 UTPM2 1044214 1393040 1212150 1071240 780206 792209 1526762 1462027 1465149 836811 611616 808227 0 0 UTPM3 740770 541027 561544 810456 811877 240355 388654 456918 919850 187667 0 214892 0 0 UTPM4 1955173 1814952 1709163 2166678 1460570 1069940 1387143 1664787 2314894 233847 297271 173363 0 0 UTPM5 22026941 22294376 22535799 26153329 19742784 15568081 20907137 20790225 27014330 7626889 7186727 7337556 0 0 UTPM6 2516605 2662085 2801775 2941124 2171071 1914743 3124194 1781947 3612948 571529 746341 975043 0 0 UTPM7 2318002 2043734 2471332 2168040 1912664 670549 2418266 1700828 2313331 241057 203416 681445 0 0 UTPM8 80122 386195 423362 463707 165075 0 235612 328059 304360 0 0 0 0 0 UTPM9 0 0 0 0 0 0 0 0 0 174360 245052 169210 0 0 ValineM0 683525860 519252153 321578999 785879185 614845556 596370054 624644736 531376347 675965667 1278637250 580884276 545020310 0 0 ValineStd 139759058 132250239 139970222 137553137 145689480 137620716 135636337 136819696 156194834 130197262 134479490 133481843 0 0 XanthineM0 66322361 56591159 51229556 53555129 47748596 43056460 66717631 53352731 65544386 137902757 61722618 45819835 0 0 XanthineM1 2920320 2339967 2381724 2500361 2255984 1943896 3340473 2214282 3272808 6790146 2552569 2206168 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG.ID 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholineM0 X00001 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholineM0 X00002 1,3-BisphosphoglycerateM0 C00236 1,3-BisphosphoglycerateM3 C00236 2-AminobutyrateM0 C02356 2-AminobutyrateM1 C02356 2-HGM0 C02630 2-HGM1 C02630 2-HGM2 C02630 2-OxoadipateM0 C00322 2-OxosuccinamateM0 C02362 3-PhosphoglycerateM0 C00197 3-PhosphoglycerateM2 C00197 3-PhosphoglycerateM3 C00197 4-HydroxyphenyllactateM0 C03672 5-OxoprolineM0 C01879 5-OxoprolineM1 C01879 5-OxoprolineM2 C01879 5-OxoprolineM3 C01879 5-OxoprolineM4 C01879 5-OxoprolineM5 C01879 6-PhosphogluconateM2 C00345 6-PhosphogluconateM3 C00345 6-PhosphogluconateM4 C00345 6-PhosphogluconateM5 C00345 6-PhosphogluconateM6 C00345 a-KetoglutarateM0 C00026 a-KetoglutarateM1 C00026 a-KetoglutarateM2 C00026 Acetoacetyl-CoAM1 C00332 Acetoacetyl-CoAM10 C00332 Acetoacetyl-CoAM11 C00332 Acetoacetyl-CoAM12 C00332 Acetoacetyl-CoAM13 C00332 Acetoacetyl-CoAM14 C00332 Acetoacetyl-CoAM15 C00332 Acetoacetyl-CoAM16 C00332 Acetoacetyl-CoAM17 C00332 Acetoacetyl-CoAM18 C00332 Acetoacetyl-CoAM19 C00332 Acetoacetyl-CoAM5 C00332 Acetoacetyl-CoAM6 C00332 Acetoacetyl-CoAM7 C00332 Acetoacetyl-CoAM8 C00332 Acetoacetyl-CoAM9 C00332 Acetyl-CoAM0 C00024 Acetyl-CoAM1 C00024 Acetyl-CoAM10 C00024 Acetyl-CoAM2 C00024 Acetyl-CoAM3 C00024 Acetyl-CoAM4 C00024 Acetyl-CoAM5 C00024 Acetyl-CoAM6 C00024 Acetyl-CoAM7 C00024 Acetyl-CoAM8 C00024 Acetyl-CoAM9 C00024 AcetylcarnitineM0 C02571 AcetylcarnitineM1 C02571 AcetylcarnitineM2 C02571 AcetylcarnitineM3 C02571 AcetylcarnitineM6 C02571 AcetylcholineM0 C01996 AcetylcholineM1 C01996 AdenineM0 C00147 AdenineM1 C00147 ADPM0 C00008 ADPM1 C00008 ADPM2 C00008 ADPM3 C00008 ADPM4 C00008 ADPM5 C00008 ADPM6 C00008 ADPM7 C00008 ADPM8 C00008 ADPfromATPM0 ADPfromATPM1 ADPfromATPM2 ADPfromATPM3 ADPfromATPM4 ADPfromATPM5 ADPfromATPM6 ADPfromATPM7 ADPfromATPM8 AlanineM0 C00041 AlanineM1 C00041 AlanineM2 C00041 AlanineM3 C00041 AlanineStd C00041 AMPM0 C00020 AMPM1 C00020 AMPM2 C00020 AMPM3 C00020 AMPM4 C00020 AMPM5 C00020 AMPM6 C00020 AMPM7 C00020 ArginineM0 C00062 ArginineM1 C00062 ArginineM2 C00062 ArginineStd C00062 ArgininosuccinateM0 C03406 ArgininosuccinateM1 C03406 ArgininosuccinateM2 C03406 ArgininosuccinateM3 C03406 AsparagineM0 C00152 AsparagineM1 C00152 AsparagineM2 C00152 AsparagineM3 C00152 AsparagineM4 C00152 ATPM0 C00002 ATPM1 C00002 ATPM2 C00002 ATPM3 C00002 ATPM4 C00002 ATPM5 C00002 ATPM6 C00002 ATPM7 C00002 ATPM8 C00002 CarnitineM0 C00318 CarnitineM1 C00318 CarnitineM2 C00318 CDPM0 C00112 CDPM1 C00112 CDPM5 C00112 CDPM6 C00112 CDP-cholineM0 C00307 CDP-cholineM5 C00307 CDP-ethanolamineM0 C00570 CDP-ethanolamineM1 C00570 CDP-ethanolamineM2 C00570 CDP-ethanolamineM5 C00570 CDP-ethanolamineM6 C00570 CholineM0 C00114 CholineM1 C00114 CitrateM0 C00158 CitrateM1 C00158 CitrateM2 C00158 CitrateM3 C00158 CitrateM4 C00158 CitrateM5 C00158 CitrateM6 C00158 CitrullineM0 C00327 CitrullineM1 C00327 CMPM0 C00055 CoAM0 C00010 CoAM1 C00010 CoAM2 C00010 CoAM3 C00010 CoAM4 C00010 CoAM5 C00010 CoAM6 C00010 CoAM7 C00010 CoAM8 C00010 CoAM9 C00010 CreatineM0 C00300 CreatineM1 C00300 CreatineM2 C00300 CreatinineM0 C00791 CreatinineM1 C00791 CreatinineM2 C00791 CTPM0 C00063 CTPM1 C00063 CTPM2 C00063 CTPM3 C00063 CTPM4 C00063 CTPM5 C00063 CTPM6 C00063 CTPM7 C00063 CystathionineM0 C02291 CystathionineM1 C02291 CystathionineM2 C02291 CystathionineM3 C02291 CystathionineM4 C02291 CysteineM0 C00097 CysteineM1 C00097 CystineStd C00491 CytosineM0 C00380 CytosineM1 C00380 CytosineM2 C00380 dATPM5 C00131 DihydroorotateM0 C00337 DimethylglycineM0 C01026 DimethylglycineM1 C01026 dTMPM0 C00364 dTMPM3 C00364 dTMPM5 C00364 dTMPM6 C00364 dTTPM0 C00459 FructoseM0 C00095 FructoseM1 C00095 FructoseM3 C00095 FructoseM5 C00095 FructoseM6 C00095 Fructose-1,6-bisphosphateM0 C00354 Fructose-1,6-bisphosphateM2 C00354 Fructose-1,6-bisphosphateM3 C00354 Fructose-1,6-bisphosphateM4 C00354 Fructose-1,6-bisphosphateM5 C00354 Fructose-1,6-bisphosphateM6 C00354 FumarateM0 C00122 FumarateM1 C00122 FumarateM2 C00122 FumarateM3 C00122 g-GluCysM0 C00669 GABAM0 C00334 GABAM1 C00334 GDPM0 C00035 GDPM1 C00035 GDPM2 C00035 GDPM3 C00035 GDPM4 C00035 GDPM5 C00035 GDPM6 C00035 GDPM7 C00035 Gluconic acidM0 C00257 Gluconic acidM1 C00257 Gluconic acidM2 C00257 Gluconic acidM3 C00257 Gluconic acidM4 C00257 Gluconic acidM5 C00257 Gluconic acidM6 C00257 GlucosamineM0 C00329 GlucosamineM1 C00329 GlucosamineM3 C00329 Glucosamine-6-phosphateM0 C00352 Glucosamine-6-phosphateM1 C00352 Glucosamine-6-phosphateM3 C00352 Glucosamine-6-phosphateM5 C00352 GlucoseM0 C00031 GlucoseM1 C00031 GlucoseM4 C00031 GlucoseM5 C00031 GlucoseM6 C00031 GlutamateM0 C00025 GlutamateM1 C00025 GlutamateM2 C00025 GlutamateM3 C00025 GlutamateM4 C00025 GlutamateM5 C00025 GlutamateStd C00025 GlutamineM0 C00064 GlutamineM1 C00064 GlutamineM2 C00064 GlutamineM3 C00064 GlutamineM4 C00064 GlutamineM5 C00064 Glyceraldehyde-3-phosphateM0 C00118 Glyceraldehyde-3-phosphateM2 C00118 Glyceraldehyde-3-phosphateM3 C00118 GlycerolM0 C00116 GlycerolM1 C00116 Glycerol-3-phosphateM0 C00093 Glycerol-3-phosphateM1 C00093 Glycerol-3-phosphateM2 C00093 Glycerol-3-phosphateM3 C00093 GlycineM0 C00037 GlycineM1 C00037 GlycineM2 C00037 GlycineStd C00037 GMPM0 C00144 GMPM2 C00144 GMPM4 C00144 GMPM5 C00144 GMPM6 C00144 GTPM0 C00044 GTPM1 C00044 GTPM2 C00044 GTPM3 C00044 GTPM4 C00044 GTPM5 C00044 GTPM6 C00044 GTPM7 C00044 GTPM8 C00044 Hexose phosphateM0 C00085 Hexose phosphateM1 C00085 Hexose phosphateM3 C00085 Hexose phosphateM5 C00085 Hexose phosphateM6 C00085 HistidineM0 C00135 HistidineStd C00135 HMG-CoAM0 C00356 HMG-CoAM2 C00356 HMG-CoAM4 C00356 HMG-CoAM5 C00356 HMG-CoAM6 C00356 HMG-CoAM7 C00356 HMG-CoAM8 C00356 HMG-CoAM9 C00356 HomocysteineM0 C00155 HomocysteineM1 C00155 HomocysteineM2 C00155 HydroxyprolineM0 C01157 HydroxyprolineM1 C01157 HydroxyprolineM2 C01157 HypoxanthineM0 C00262 HypoxanthineM1 C00262 InosineM5 C00294 InositolM0 C00137 LactateM0 C00186 LactateM1 C00186 LactateM2 C00186 LactateM3 C00186 Leucine-IsoleucineM0 C00123 Leucine-IsoleucineStd C00123 LysineM0 C00047 LysineStd C00047 MalateM0 C00149 MalateM1 C00149 MalateM2 C00149 MalateM3 C00149 MalateM4 C00149 Malonyl-CoAM0 C00083 Malonyl-CoAM1 C00083 Malonyl-CoAM2 C00083 Malonyl-CoAM5 C00083 Malonyl-CoAM6 C00083 Malonyl-CoAM7 C00083 MethionineM0 C00073 MethionineM1 C00073 MethionineM2 C00073 MethionineM3 C00073 MethionineM4 C00073 MethionineM5 C00073 MethionineStd C00073 NAD+M0 C00003 NADHM0 C00004 NADP+M0 C00006 NicotinamideM0 C00153 OrnithineM0 C00077 OrnithineM1 C00077 OrotateM1 C00295 OrotateM2 C00295 OrotateM3 C00295 OrotidineM0 X00006 OrotidineM1 X00006 OrotidineM2 X00006 OrotidineM3 X00006 OrotidineM4 X00006 OrotidineM5 X00006 OrotidineM6 X00006 OrotidineM7 X00006 OrotidineM8 X00006 OrotidineM9 X00006 PalmitateM0 C00249 PalmitateM1 C00249 PalmitateM10 C00249 PalmitateM2 C00249 PalmitateM3 C00249 PalmitateM4 C00249 PalmitateM5 C00249 PalmitateM6 C00249 PalmitateM7 C00249 PalmitateM8 C00249 PhenylalanineM0 C00079 PhenylalanineStd C00079 PhosphateM0 C00009 PhosphocholineM0 C00588 PhosphocholineM1 C00588 PhosphocreatineM0 C02305 PhosphocreatineM1 C02305 PhosphoenolpyruvateM0 C00074 PhosphoenolpyruvateM3 C00074 PhosphoethanolamineM0 C00346 PhosphoserineM0 C01005 PhosphoserineM1 C01005 PhosphoserineM2 C01005 PhosphoserineM3 C01005 PipecolateM0 C00408 ProlineM0 C00148 ProlineM1 C00148 ProlineM2 C00148 ProlineM3 C00148 ProlineM4 C00148 ProlineM5 C00148 ProlineStd C00148 Propanoyl-CoAM0 C00100 Propanoyl-CoAM1 C00100 Propanoyl-CoAM2 C00100 Propanoyl-CoAM20 C00100 Propanoyl-CoAM3 C00100 Propanoyl-CoAM4 C00100 Propanoyl-CoAM5 C00100 Propanoyl-CoAM6 C00100 Propanoyl-CoAM7 C00100 Propanoyl-CoAM8 C00100 PyrophosphateM0 C00013 PyruvateM0 C00022 PyruvateM2 C00022 PyruvateM3 C00022 RiboseM0 C00121 RiboseM1 C00121 Ribose-5-phosphateM5 C00117 S-Adenosyl-L-methionineM0 C00019 S-Adenosyl-L-methionineM1 C00019 S-Adenosyl-L-methionineM2 C00019 S-Adenosyl-L-methionineM3 C00019 S-Adenosyl-L-methionineM4 C00019 S-Adenosyl-L-methionineM5 C00019 S-Adenosyl-L-methionineM6 C00019 S-Adenosyl-L-methionineM7 C00019 S-Adenosyl-L-methionineM8 C00019 S-Adenosyl-L-methionineM9 C00019 SarcosineM0 C00213 SarcosineM1 C00213 Sedoheptulose-7-phosphateM0 C05382 Sedoheptulose-7-phosphateM7 C05382 SerineM0 C00065 SerineM1 C00065 SerineM2 C00065 SerineM3 C00065 SerineStd C00065 SorbitolM0 C00794 SorbitolM1 C00794 SorbitolM5 C00794 SorbitolM6 C00794 SuccinateM0 C00042 SuccinateM1 C00042 SuccinateM2 C00042 SuccinateM3 C00042 Succinyl-CoAM0 C00091 Succinyl-CoAM1 C00091 Succinyl-CoAM10 C00091 Succinyl-CoAM2 C00091 Succinyl-CoAM3 C00091 Succinyl-CoAM4 C00091 Succinyl-CoAM5 C00091 Succinyl-CoAM6 C00091 Succinyl-CoAM7 C00091 Succinyl-CoAM8 C00091 Succinyl-CoAM9 C00091 ThiosulfateM0 C00320 ThreonineM0 C00188 ThreonineStd C00188 TryptophanM0 C00078 TyramineM0 C00483 TyrosineM0 C00082 TyrosineStd C00082 UDPM0 C00015 UDPM1 C00015 UDPM2 C00015 UDPM3 C00015 UDPM4 C00015 UDPM5 C00015 UDPM6 C00015 UDPM7 C00015 UDPM8 C00015 UDPM9 C00015 UMPM0 C00105 UMPM1 C00105 UMPM2 C00105 UMPM4 C00105 UMPM5 C00105 UMPM6 C00105 UMPM7 C00105 UracilM0 C00106 UracilM1 C00106 UracilM4 C00106 Uric acidM0 C00366 Uric acidM1 C00366 UTPM0 C00075 UTPM1 C00075 UTPM2 C00075 UTPM3 C00075 UTPM4 C00075 UTPM5 C00075 UTPM6 C00075 UTPM7 C00075 UTPM8 C00075 UTPM9 C00075 ValineM0 C00183 ValineStd C00183 XanthineM0 C00385 XanthineM1 C00385 METABOLITES_END #END