#METABOLOMICS WORKBENCH karthikvasan_20230907_134600 DATATRACK_ID:4297 STUDY_ID:ST002876 ANALYSIS_ID:AN004713 VERSION 1 CREATED_ON 09-27-2023 #PROJECT PR:PROJECT_TITLE High Level Expression of NSD2 Creates a Metabolic Dependency in Multiple Myeloma PR:PROJECT_SUMMARY Multiple myeloma (MM) is a malignancy of plasma cells with several molecular PR:PROJECT_SUMMARY subtypes and variable prognosis. Despite therapeutic advances, most patients PR:PROJECT_SUMMARY ultimately relapse due to drug resistance. Frontline treatments for MM target PR:PROJECT_SUMMARY malignant cells based on their differentiated B cell nature, but not the PR:PROJECT_SUMMARY underlying genetic lesions. Chromosomal translocation t(4;14), observed in 15% PR:PROJECT_SUMMARY of MM patients, results in overexpression of the histone methyltransferase NSD2, PR:PROJECT_SUMMARY which contributes to MM pathogenesis by promoting an oncogenic transcriptional PR:PROJECT_SUMMARY program and is associated with a worse prognosis. A genome-wide CRISPR based PR:PROJECT_SUMMARY functional screen in isogenic MM cell lines with high and low NSD2 expression PR:PROJECT_SUMMARY identified the mitochondrial enzyme adenylate kinase 2 (AK2) as a NSD2-driven MM PR:PROJECT_SUMMARY cell dependency. AK2 loss in t(4;14) MM cells induced apoptosis and inhibited PR:PROJECT_SUMMARY cell growth in vitro and in vivo. Consistent with a defect in shuttling ATP from PR:PROJECT_SUMMARY the mitochondria to intracellular utilization sites, AK2 depletion impaired PR:PROJECT_SUMMARY ATP-dependent protein folding in the ER and increased MM cell sensitivity to the PR:PROJECT_SUMMARY proteasome inhibitor bortezomib. Furthermore, AK2 suppression decreased PR:PROJECT_SUMMARY intracellular NAD(H) phosphorylation resulting in lower NADP(H) levels. PR:PROJECT_SUMMARY Cytosolic NADPH is necessary for reducing thioredoxin, an essential cofactor for PR:PROJECT_SUMMARY ribonucleotide reductase which is critical for deoxyribonucleotides (dNTP) PR:PROJECT_SUMMARY synthesis. Consequently, AK2 deficiency in MM cells resulted in dNTP pool PR:PROJECT_SUMMARY depletion and induced DNA replication stress. Creatine phosphorylation by PR:PROJECT_SUMMARY mitochondrial creatine kinase is an alternative route for shuttling ATP from the PR:PROJECT_SUMMARY mitochondria to the cytosol. Metabolomics analysis revealed decreased levels of PR:PROJECT_SUMMARY creatine and accumulation of its precursor guanadoacetate in NSD2 high cells, in PR:PROJECT_SUMMARY association with elevated levels of S-adenosyl homocysteine (SAH) indicating PR:PROJECT_SUMMARY consumption of the carbon donor S-Adenosyl methionine (SAM). This along with the PR:PROJECT_SUMMARY 6-fold increase in genome wide H3K36me2 levels and 40% increase in DNA PR:PROJECT_SUMMARY methylation levels in NSD2 high cells suggested that overexpression of NSD2 PR:PROJECT_SUMMARY redirected one-carbon metabolism to the epigenome and away from the PR:PROJECT_SUMMARY SAM-dependent creatine synthesis. Therefore, decreased creatine levels in NSD2 PR:PROJECT_SUMMARY overexpressing cells underlie the increased reliance on AK2. Correspondingly, PR:PROJECT_SUMMARY supplementation with exogenous creatine restored NADP(H) levels and rescued AK2 PR:PROJECT_SUMMARY deficient cells from apoptosis. These findings revealed a novel metabolic PR:PROJECT_SUMMARY susceptibility in t(4;14) MM and provided insight into a novel therapeutic PR:PROJECT_SUMMARY strategy to improve patient prognosis. PR:INSTITUTE Northwestern University PR:LAST_NAME Licht PR:FIRST_NAME Jonathan PR:ADDRESS 2033 MOWRY RD STE 145 GAINESVILLE FL 32610 PR:EMAIL jdlicht@ufl.edu PR:PHONE (352) 273-8143 PR:DOI http://dx.doi.org/10.21228/M89D97 #STUDY ST:STUDY_TITLE High Level Expression of NSD2 Creates a Metabolic Dependency in Multiple Myeloma ST:STUDY_SUMMARY Multiple myeloma (MM) is a malignancy of plasma cells with several molecular ST:STUDY_SUMMARY subtypes and variable prognosis. Despite therapeutic advances, most patients ST:STUDY_SUMMARY ultimately relapse due to drug resistance. Frontline treatments for MM target ST:STUDY_SUMMARY malignant cells based on their differentiated B cell nature, but not the ST:STUDY_SUMMARY underlying genetic lesions. Chromosomal translocation t(4;14), observed in 15% ST:STUDY_SUMMARY of MM patients, results in overexpression of the histone methyltransferase NSD2, ST:STUDY_SUMMARY which contributes to MM pathogenesis by promoting an oncogenic transcriptional ST:STUDY_SUMMARY program and is associated with a worse prognosis. A genome-wide CRISPR based ST:STUDY_SUMMARY functional screen in isogenic MM cell lines with high and low NSD2 expression ST:STUDY_SUMMARY identified the mitochondrial enzyme adenylate kinase 2 (AK2) as a NSD2-driven MM ST:STUDY_SUMMARY cell dependency. AK2 loss in t(4;14) MM cells induced apoptosis and inhibited ST:STUDY_SUMMARY cell growth in vitro and in vivo. Consistent with a defect in shuttling ATP from ST:STUDY_SUMMARY the mitochondria to intracellular utilization sites, AK2 depletion impaired ST:STUDY_SUMMARY ATP-dependent protein folding in the ER and increased MM cell sensitivity to the ST:STUDY_SUMMARY proteasome inhibitor bortezomib. Furthermore, AK2 suppression decreased ST:STUDY_SUMMARY intracellular NAD(H) phosphorylation resulting in lower NADP(H) levels. ST:STUDY_SUMMARY Cytosolic NADPH is necessary for reducing thioredoxin, an essential cofactor for ST:STUDY_SUMMARY ribonucleotide reductase which is critical for deoxyribonucleotides (dNTP) ST:STUDY_SUMMARY synthesis. Consequently, AK2 deficiency in MM cells resulted in dNTP pool ST:STUDY_SUMMARY depletion and induced DNA replication stress. Creatine phosphorylation by ST:STUDY_SUMMARY mitochondrial creatine kinase is an alternative route for shuttling ATP from the ST:STUDY_SUMMARY mitochondria to the cytosol. Metabolomics analysis revealed decreased levels of ST:STUDY_SUMMARY creatine and accumulation of its precursor guanadoacetate in NSD2 high cells, in ST:STUDY_SUMMARY association with elevated levels of S-adenosyl homocysteine (SAH) indicating ST:STUDY_SUMMARY consumption of the carbon donor S-Adenosyl methionine (SAM). This along with the ST:STUDY_SUMMARY 6-fold increase in genome wide H3K36me2 levels and 40% increase in DNA ST:STUDY_SUMMARY methylation levels in NSD2 high cells suggested that overexpression of NSD2 ST:STUDY_SUMMARY redirected one-carbon metabolism to the epigenome and away from the ST:STUDY_SUMMARY SAM-dependent creatine synthesis. Therefore, decreased creatine levels in NSD2 ST:STUDY_SUMMARY overexpressing cells underlie the increased reliance on AK2. Correspondingly, ST:STUDY_SUMMARY supplementation with exogenous creatine restored NADP(H) levels and rescued AK2 ST:STUDY_SUMMARY deficient cells from apoptosis. These findings revealed a novel metabolic ST:STUDY_SUMMARY susceptibility in t(4;14) MM and provided insight into a novel therapeutic ST:STUDY_SUMMARY strategy to improve patient prognosis. We performed metabolomic analysis of ST:STUDY_SUMMARY multiple myeloma cell lines with either high or low NSD2 levels with or without ST:STUDY_SUMMARY NSD2 knockdown. ST:INSTITUTE University of Florida ST:LAST_NAME Licht ST:FIRST_NAME Jonathan ST:ADDRESS 2033 MOWRY RD STE 145 GAINESVILLE FL 32610 ST:EMAIL jdlicht@ufl.edu ST:PHONE (352) 273-8143 ST:SUBMIT_DATE 2023-09-07 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 1 Genotype:High NSD2 | Treatment:Control RAW_FILE_NAME=Cha-Kar-20220602-01.raw SUBJECT_SAMPLE_FACTORS - 2 Genotype:High NSD2 | Treatment:Control RAW_FILE_NAME=Cha-Kar-20220602-02.raw SUBJECT_SAMPLE_FACTORS - 3 Genotype:High NSD2 | Treatment:Control RAW_FILE_NAME=Cha-Kar-20220602-03.raw SUBJECT_SAMPLE_FACTORS - 4 Genotype:High NSD2 | Treatment:Knockdown 1 RAW_FILE_NAME=Cha-Kar-20220602-04.raw SUBJECT_SAMPLE_FACTORS - 5 Genotype:High NSD2 | Treatment:Knockdown 1 RAW_FILE_NAME=Cha-Kar-20220602-05.raw SUBJECT_SAMPLE_FACTORS - 6 Genotype:High NSD2 | Treatment:Knockdown 1 RAW_FILE_NAME=Cha-Kar-20220602-06.raw SUBJECT_SAMPLE_FACTORS - 7 Genotype:High NSD2 | Treatment:Knockdown 2 RAW_FILE_NAME=Cha-Kar-20220602-07.raw SUBJECT_SAMPLE_FACTORS - 8 Genotype:High NSD2 | Treatment:Knockdown 2 RAW_FILE_NAME=Cha-Kar-20220602-08.raw SUBJECT_SAMPLE_FACTORS - 9 Genotype:High NSD2 | Treatment:Knockdown 2 RAW_FILE_NAME=Cha-Kar-20220602-09.raw SUBJECT_SAMPLE_FACTORS - 10 Genotype:Low NSD2 | Treatment:Control RAW_FILE_NAME=Cha-Kar-20220602-10.raw SUBJECT_SAMPLE_FACTORS - 11 Genotype:Low NSD2 | Treatment:Control RAW_FILE_NAME=Cha-Kar-20220602-11.raw SUBJECT_SAMPLE_FACTORS - 12 Genotype:Low NSD2 | Treatment:Control RAW_FILE_NAME=Cha-Kar-20220602-12.raw SUBJECT_SAMPLE_FACTORS - 13 Genotype:Low NSD2 | Treatment:Knockdown 1 RAW_FILE_NAME=Cha-Kar-20220602-13.raw SUBJECT_SAMPLE_FACTORS - 14 Genotype:Low NSD2 | Treatment:Knockdown 1 RAW_FILE_NAME=Cha-Kar-20220602-14.raw SUBJECT_SAMPLE_FACTORS - 15 Genotype:Low NSD2 | Treatment:Knockdown 1 RAW_FILE_NAME=Cha-Kar-20220602-15.raw SUBJECT_SAMPLE_FACTORS - 16 Genotype:Low NSD2 | Treatment:Knockdown 2 RAW_FILE_NAME=Cha-Kar-20220602-16.raw SUBJECT_SAMPLE_FACTORS - 17 Genotype:Low NSD2 | Treatment:Knockdown 2 RAW_FILE_NAME=Cha-Kar-20220602-17.raw SUBJECT_SAMPLE_FACTORS - 18 Genotype:Low NSD2 | Treatment:Knockdown 2 RAW_FILE_NAME=Cha-Kar-20220602-18.raw #COLLECTION CO:COLLECTION_SUMMARY Multiple myeloma cells were collected, spun down, and flash frozen. CO:SAMPLE_TYPE B cells #TREATMENT TR:TREATMENT_SUMMARY Stable NSD2 knockdown cell lines and control cell lines were established using TR:TREATMENT_SUMMARY shRNA. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Soluble metabolites were extracted directly from snap-frozen cell pellets using SP:SAMPLEPREP_SUMMARY cold acetonitrile/water (80/20, vol/vol) at a dilution of 10,000 cells/ul SP:SAMPLEPREP_SUMMARY solvent. Samples were vortexed and incubated at -80C overnight to precipitate SP:SAMPLEPREP_SUMMARY proteins and subsequently thawed, vortexed, and centrifuged at 18,000 x g for 30 SP:SAMPLEPREP_SUMMARY min at 4C to pellet debris. The supernatants were transferred to new vials and SP:SAMPLEPREP_SUMMARY analyzed by high-performance liquid chromatography (HPLC) and high-resolution SP:SAMPLEPREP_SUMMARY mass spectrometry and tandem mass spectrometry (MS/MS). #CHROMATOGRAPHY CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters XBridge BEH Amide (100 x 4.6mm,3.5um) CH:COLUMN_TEMPERATURE 275 CH:FLOW_GRADIENT 0 min, 15% A; 2.5 min, 30% A; 7 min, 43% A; 16 min, 62% A; 16.1-18 min, 75% A; CH:FLOW_GRADIENT 18-25 min, 15% A CH:FLOW_RATE 150 μL/min CH:SOLVENT_A 95% water/5% acetonitrile; 10 mM ammonium hydroxide; 10 mM ammonium acetate, pH CH:SOLVENT_A 9.0 CH:SOLVENT_B 100% acetonitrile CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS The capillary of the ESI source was set to 275 °C, with sheath gas at 35 MS:MS_COMMENTS arbitrary units, auxiliary gas at 5 arbitrary units and the spray voltage at 4.0 MS:MS_COMMENTS kV. In positive/negative polarity switching mode, an m/z scan range from 60 to MS:MS_COMMENTS 900 was chosen and MS1 data was collected at a resolution of 70,000. MS:ION_MODE UNSPECIFIED #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 Factors Genotype:High NSD2 | Treatment:Control Genotype:High NSD2 | Treatment:Control Genotype:High NSD2 | Treatment:Control Genotype:High NSD2 | Treatment:Knockdown 1 Genotype:High NSD2 | Treatment:Knockdown 1 Genotype:High NSD2 | Treatment:Knockdown 1 Genotype:High NSD2 | Treatment:Knockdown 2 Genotype:High NSD2 | Treatment:Knockdown 2 Genotype:High NSD2 | Treatment:Knockdown 2 Genotype:Low NSD2 | Treatment:Control Genotype:Low NSD2 | Treatment:Control Genotype:Low NSD2 | Treatment:Control Genotype:Low NSD2 | Treatment:Knockdown 1 Genotype:Low NSD2 | Treatment:Knockdown 1 Genotype:Low NSD2 | Treatment:Knockdown 1 Genotype:Low NSD2 | Treatment:Knockdown 2 Genotype:Low NSD2 | Treatment:Knockdown 2 Genotype:Low NSD2 | Treatment:Knockdown 2 1-phenylethylamine 321816.2948 278175.6675 213358.6838 171716.5970 2029154.0710 143682.1473 198871.9858 186130.6278 2042443.4380 669600.0839 419672.3354 196877.5635 525398.5903 122769.5166 177513.8036 2- / 3-phosphoglycerate 36155.9745 25110.4345 16783.9216 25438.2903 17177.2963 6322.0526 11772.9903 20457.9518 7283.7813 13010.0019 11592.5634 9641.1865 5859.8136 6760.8318 13710.9898 5386.7835 14447.9902 24307.3102 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine 635512.8361 686256.0270 838787.5552 559666.2263 751597.7196 826801.1215 657981.5475 845259.8410 777725.8681 505320.5717 451907.2300 515941.2237 751286.6120 599537.1379 607962.1005 946156.2913 874226.8121 868732.9585 2-HG 6439539.1310 5871434.0770 7032602.3800 10006276.7500 7386081.9300 10583587.2700 8841080.6280 9649682.9360 9975341.7750 16775984.5800 18002980.8600 16201987.2600 16053534.4500 17120075.5500 17640066.4100 12119293.6300 14085374.9200 11790365.5300 2-hydroxybutanoic acid 1684963.6900 491734.4129 726858.5314 384729.2395 335345.9452 363645.4561 232450.6339 360856.9868 292713.6352 277447.7047 357917.7840 587551.1632 551937.6098 488296.9261 318215.5393 617404.2083 309088.8680 475675.3196 2-keto-isovaleric acid 2282110.8510 2120047.8440 1768360.5100 1650232.8600 1500573.9020 1119695.2260 1161965.6140 879286.1473 891442.0828 1363347.3700 1248273.5380 1440049.1310 1040698.5140 1077313.4770 1323166.8110 475541.5767 819371.2349 769338.7934 3- / 7-methylguanine 506875.7596 427034.7866 395967.9928 272353.5644 297243.0846 232669.6487 280639.3259 338869.7097 298442.9031 279082.5487 349408.4640 342632.7323 327606.6366 335992.9443 271793.9312 281276.7695 279804.7456 300996.8780 3-hydroxypropanoic acid 9225449.2480 15344867.4000 20397855.4000 26095988.7400 29557109.9100 37276289.6500 32805221.4100 31579142.1800 29684536.8800 49786351.2300 30996354.9500 54008886.1700 25579931.6300 39079668.9000 28366822.6300 41455126.0800 32175135.2500 22131544.7800 3-phosphohydroxypyruvic acid 71363.9980 77370.4731 49527.8331 49490.7605 34840.6130 31220.9268 7525.1204 10467.4317 47410.4016 55607.2150 50138.2816 38078.7587 40808.1787 57586.4822 11924.8776 3-ureidopropionic acid 100612.5649 34195.3359 66389.7992 64608.8535 40571.4794 35663.1863 34817.1235 97343.5449 46217.9231 65561.8608 19150.8236 9007.9014 55940.8627 26339.7721 76303.3537 40567.0856 11766.0399 33824.6306 4-hydroxybutanoic acid 2810112.5850 909437.2408 1135500.2570 754237.0162 818541.8062 911669.6539 875789.1242 785432.9516 804052.9651 850702.8513 870292.6988 910553.5201 916376.2056 967653.5853 904708.2200 890705.6911 899097.2432 813894.5860 4-hydroxyproline / 5-aminolevulinate 74498915.8000 52595152.9900 45881410.6900 55798018.5500 44833812.2500 70054208.7400 57507908.6000 62457476.8600 47857893.8100 41042075.0100 38317019.6500 46832514.8500 49947000.5600 53561747.3500 57326038.8600 54720393.2800 51194367.5400 58036513.3500 5-aminopentanoic acid 777285.0560 1770578.7620 1949310.8690 1450185.9910 1312963.3440 1868973.4280 1420031.8400 1120406.4670 1073575.4100 1420670.4620 1314672.8330 1070605.6110 2039830.5130 2360113.9510 2037799.5220 785721.6498 949568.9940 901406.2046 5-methylcytosine 403707.8270 503246.0298 415438.8883 495405.9197 477408.9715 458477.4482 653882.1490 674870.0532 495119.3590 484676.1771 458584.4073 568768.2890 602213.1191 429685.8696 570184.0024 773410.3807 540427.3442 886102.7151 5^-methylthioadenosine 4173327.9190 4035770.3720 4372105.4740 4756150.1860 4747718.0230 4771362.9500 4400966.0400 4203624.1890 4211934.4560 5820014.5110 5526199.9240 5041854.8120 6631837.8560 6055137.8370 6451285.3430 4085988.6690 4319313.9790 3802365.3880 6-aminohexanoate 14061018.5900 14673179.4700 16976751.1100 11879621.4500 14124028.0100 18446669.4500 19405792.2100 23115052.7500 9037055.3950 11418407.0600 6913191.0960 11222292.8400 15364731.3900 16213580.1500 16371240.8500 8648000.7260 5421485.0270 6-phosphogluconic acid 40762.3123 18107.3848 43880.5570 41666.9007 29688.9610 77777.8590 33549.1516 22153.9532 18386.4829 acetoin 1274607.4620 1106761.7980 927951.6247 1219614.2020 1063535.1340 1040143.9400 903900.4776 1018959.2220 935996.5843 3588588.9000 3383368.9440 3105155.9490 3954490.8680 3779809.2870 4087192.4930 2497716.6100 2425907.6230 2325676.6000 acetylcarnitine+ 147293580.4000 138673627.1000 144329742.4000 133709166.8000 118436308.3000 120621053.8000 67773059.2700 74373658.6200 63880761.1100 38016334.2100 36643176.2100 35971227.5500 37252052.8300 42739609.2600 39042412.1500 30574032.1300 36654245.1300 29590933.8700 acetylcholine+ 854041.6156 711310.7515 707446.5105 885688.7346 720123.8216 712771.3636 814563.2224 830110.4576 832849.9212 682038.3715 441977.0027 569145.8520 640340.7563 617374.2162 617526.5725 638132.2162 646770.8526 663236.2499 aconitic acid 299502.6133 301766.6402 369744.6705 1092433.3330 686999.7458 1297985.2910 1648635.9580 1933236.1250 2397892.4260 2033003.1120 2612668.9850 2054702.6790 2215912.6550 3794814.9860 3896501.8880 2524271.5830 4523189.5750 3478562.9260 adenine 2174327.2730 1388307.1380 1878520.2540 1370251.8460 1389825.3020 1978872.0230 2047920.3550 1210452.1640 1357512.3090 3359264.6950 2620077.7520 3282510.1430 3901167.1640 3740523.3360 3682865.9490 1413210.8630 1760552.0590 2155117.6180 adenosine 1431921.4580 1437173.6110 946104.2369 810312.0684 831344.2474 655141.3789 742646.0332 413885.8484 525397.5914 2911351.4700 3168526.7220 3412307.9960 3297876.5320 2799207.4780 3490674.5970 2635995.2730 3135118.5150 3134723.6180 adenylosuccinate 9148.2989 22116.9998 22746.0499 696622.9259 807711.8878 664621.9265 571731.4050 296803.9388 575217.5108 451341.1687 542366.2689 331928.8062 ADP / dGDP 15402423.0900 20112438.3600 21414961.1700 24686084.8800 22464394.8600 26458476.9900 24676345.0900 24781310.9100 21582632.6800 35678795.9500 35960598.4600 29324248.0500 35050407.5000 33949041.4700 39040536.9500 30690223.6700 36734521.8100 30236898.9300 a-KG 15770661.0300 13679913.3900 12509893.8200 10807809.1400 9687056.4640 9070103.0370 4808845.6900 4204579.3320 3744661.4470 11701713.6300 10530397.5100 10079117.5100 9815903.8730 9163417.5900 9765354.0840 1976158.6370 1925514.4450 1750466.6530 alanine 170991522.6000 165328459.4000 170558200.9000 175107093.1000 162228093.6000 178247541.4000 115187037.7000 123753820.3000 106371275.4000 115487199.8000 110055523.6000 106021845.5000 140964387.6000 138924638.0000 129472453.6000 97159638.4000 104830488.9000 93303372.4500 allantoin 2388637.3790 2165798.0130 2340035.5950 1807129.5300 1930267.2530 2050638.8590 1691662.9980 1895726.7200 1614479.8140 1790992.7820 1496682.1480 1562591.7740 1938500.9970 1942494.2180 1861982.3900 1376654.7860 1616261.0270 1484180.2420 AMP / dGMP 20862314.5500 20144987.8300 19277920.4200 19533400.5900 14064182.4200 14656040.5500 13213258.9300 11907383.6600 10139451.7800 98979329.9700 90920281.8800 103642214.9000 90434907.1200 71710016.2900 95107873.9400 76845694.1900 90810775.6700 86146142.0200 anserine 10519.2068 14511.4674 6767.6669 8536.6531 15859.2433 7899.7312 10930.7610 8073.8490 8074.3065 15998.9082 arginine 64987619.2900 62856464.2900 62159639.6800 71899861.8900 72361777.4200 80991944.1400 68567474.4300 70308207.5500 61751730.5500 71625954.8000 73413711.5500 64804982.0500 82127113.9300 87077292.5500 82866659.7800 81607278.9500 80064948.2800 68914553.2000 asparagine 44024859.7300 39913430.6800 43835264.7700 48061205.1900 44385562.1200 47797036.0100 34591597.4600 37006058.7100 34107928.4900 31981911.1700 30968528.3400 27855305.0700 37728448.1500 40050638.0500 40517475.6200 33066923.5200 39336878.5600 33887010.2800 aspartic acid 40478122.8400 37351630.2200 37214723.8400 46533067.6400 35884558.9100 37811789.3100 74575334.4300 74176539.2500 66639222.6400 36205070.7700 33796935.1100 33523409.0200 38150448.0900 34499399.6700 41208707.1800 48906573.7400 69631799.2900 51667427.0100 ATP / dGTP 9728663.3500 19426049.1900 21112797.9800 30791453.9400 27612721.2700 36801545.3500 38845480.5000 45262509.3100 38064983.1500 10948792.8700 11287723.4500 8099647.4320 10077140.1600 10667621.4500 10616360.3000 8857766.5440 12278346.8000 9010855.7850 b-alanine 45031035.6200 43120438.1600 47451928.8100 44024717.4200 40970291.0700 45822355.0600 49176170.2000 50777250.1800 48284021.2500 49902255.9500 46331612.8700 50104727.9100 56136098.9400 58045672.3100 54621393.4400 47512369.7800 55695448.9700 46906598.5600 betaine+ 196260888.2000 174742144.6000 181714880.5000 161009853.0000 146272573.8000 159152390.3000 155150508.6000 153117841.5000 134528744.7000 150753972.9000 137162859.9000 141152143.3000 169226625.1000 171772697.2000 165676508.9000 141605151.0000 159176307.2000 143252166.4000 bilirubin 179910.9907 146715.2217 164776.7939 45483.9950 42136.9059 51940.1026 92309.6913 60844.5177 84423.4468 27739.6589 100687.0188 61501.6006 73683.5431 45959.2773 73048.7829 365568.8250 biotin 240021.5795 216693.7032 171488.5969 246309.0093 188815.7996 280644.2700 178179.0847 102868.3493 177900.7548 279957.6353 310264.0933 240354.9407 317903.4002 283876.4270 367884.9196 204122.3999 213072.8151 235515.9487 butyric acid / (iso) 383275.1748 370896.7677 630952.6045 507986.3530 618064.0350 484835.5462 464049.7605 545083.1304 424524.5940 532741.6171 452238.6426 715559.7785 514630.0935 490178.4175 437158.8928 458423.5020 608227.8930 289090.4420 "cAMP(2^_3^) / cAMP(3^_5^)" 8657.3930 13278.3810 9878.5742 13753.4584 12290.7508 26541.4686 13672.1231 23200.3985 11814.4355 18225.2571 14676.3675 22156.4673 28519.9211 15381.3645 9234.3088 carnitine+ 453350597.1000 433924770.1000 438802044.4000 453427772.9000 450430462.6000 483378056.3000 480735421.9000 521056749.7000 461835529.9000 263648022.8000 253464577.4000 261914057.6000 292987201.5000 275579104.0000 291077243.9000 304844716.2000 317151444.0000 303138045.6000 carnosine 130400.7419 101851.6281 118626.4373 106203.3022 100465.3728 157081.9549 21487.5478 30928.9827 76962.3868 97817.5469 12912.8774 40154.9410 24344.5909 66144.0040 54580.5686 67265.2821 90671.2034 27227.7762 CDP 743547.4733 667759.7208 808657.2819 1213757.1470 1147479.2150 1321075.7010 1218474.9490 1264065.0510 999336.8536 1758866.8470 2170212.3950 1464455.5770 1880959.6870 1861361.4690 2040235.7990 1634997.6250 2086033.4630 1620270.4610 CDP-choline+ 4879153.4970 4467217.5080 4296264.7410 5966518.3930 4517458.0210 5625863.7750 4458686.7060 4970790.1030 4166901.2630 5865131.3750 5957469.1210 5906446.3450 6015837.6410 5171584.8980 5713343.9200 4166289.6830 5070566.8360 3840525.5510 choline+ 218506222.3000 202134406.8000 213946996.0000 233981231.2000 223103841.0000 235955909.7000 621555421.3000 645332061.3000 564810314.7000 427455264.6000 396423496.5000 424627210.8000 434495528.3000 465016066.3000 464285784.4000 774977591.5000 900905127.8000 807895755.7000 citraconic acid 20270010.6600 7732268.5580 7750439.7730 10782735.8600 11804573.6500 13336062.6000 11969780.2100 10074275.5900 13441075.1400 20720148.9400 25427429.7600 19616170.4800 8067086.8220 11471816.6700 11875985.1200 12753609.8500 5981593.0940 5312541.4090 citramalic acid 499945.8486 422787.9768 371067.9982 684724.0638 781365.5506 1637936.2560 521712.5461 784250.2080 575103.6558 652255.2448 666906.1415 1313812.6690 893451.5050 769933.4717 709273.9711 451364.5629 742898.7139 956453.7769 citrate / citrate(iso) 6559417.5570 7182085.2840 7077111.5420 7960512.5040 7672944.6820 9877168.5680 8169314.3830 10076921.0500 8829387.1250 8765854.2940 9670702.0450 7359274.3310 9225501.5990 10412377.6300 11867967.5200 7588757.0980 9469805.1220 8923847.9070 citrulline 1614483.9640 1323164.7850 1457808.5050 1701166.1480 1365250.4440 1470164.3350 1159305.9490 1253719.8290 1223469.8860 1307692.7410 1257656.8770 1670493.6130 1474639.1730 1354073.4100 1571750.5330 1314560.3170 1514564.7400 1361798.2220 CMP 1893538.0680 1865120.1580 1867499.2590 1968438.5620 1587717.6910 1761766.1060 1649801.6090 1599772.1170 1261568.4450 11189523.8800 11075794.0400 11607798.4800 11222560.0400 9280250.0990 12856899.1500 9613598.4910 10948221.4400 10012975.2200 coenzyme A 56743.9578 27592.7060 27434.0238 84103.7670 65415.5600 7488.2133 11012.9701 25822.0508 41651.5399 91053.2294 26784.7454 38272.7984 13048.2254 20287.2736 22758.3609 21488.6427 20607.3264 creatine 874291013.7000 941260360.8000 978882668.7000 924081459.7000 858330629.6000 902464236.8000 696044643.4000 743426210.5000 662276147.3000 680473960.2000 607764667.9000 609683147.6000 707448443.3000 744783386.4000 713965134.5000 512110732.7000 609266203.8000 517523931.1000 creatinine 21214653.4200 17814045.0600 18014387.5200 14135903.5000 15010207.1700 13735526.0300 13658394.4500 13502274.3400 10800980.2500 13176724.2000 13119273.8500 11894794.4900 14945334.6700 15371651.5800 14360870.6200 11443773.3900 12140140.3500 9942363.7740 CTP 197116.1554 492045.4662 1122519.0450 885822.5101 932793.4573 1335497.3580 1545206.0090 1856773.4040 1437648.5840 480871.9736 510378.6927 401822.6223 257206.8742 486548.2922 381513.8748 349003.1112 256375.3728 276904.3398 cystathionine 1451810.6610 1226112.2140 1266911.6600 1812714.2480 1509220.7760 1582831.8710 1024387.6200 1004569.2680 909108.5556 902603.1840 1094828.9240 1101511.1160 1089003.1660 1044144.1630 980723.2757 1709239.2160 1888542.6770 1688626.0190 cysteine 15892459.1400 15264141.3600 15786018.8000 15074300.3100 14870480.8600 13407824.7800 14833905.0200 13857968.1000 12010561.9900 17767577.8000 19583494.5000 19422401.0300 21175613.9100 18839773.1700 24144476.7100 14523144.0400 16666395.4400 15373778.7500 cystine 6091143.4580 4250796.9670 4623644.5670 4794345.0300 4907723.5960 3888551.1830 5714705.4930 4045322.3520 5365214.8980 5421903.6200 4980391.9050 6116396.7520 4840619.3350 5641821.2860 7102388.6430 5313747.9160 4549758.0760 4857772.5170 cytidine 254255.2302 170770.2799 174222.3204 54492.4902 41731.6357 27053.9636 17130.8751 10433.6396 49154.3572 595682.0414 671799.5835 700111.2605 626654.8327 511507.5563 659431.1107 503159.8874 555035.5712 632738.6833 cytosine 2756738.2360 2542723.9860 2506282.5770 2055459.5430 2221068.6960 2338755.4590 1462149.5650 1498005.2540 1358932.6730 1492451.4270 1513827.1510 1333867.5460 1637077.6820 1724474.9900 1477679.0680 1213274.3980 1234846.2780 1181770.4300 dCMP 180010.2683 120778.3442 179086.2176 200831.2180 156057.9025 166742.8810 137527.7271 178509.0235 119357.7483 150248.4340 156613.6588 159403.1256 148598.8076 123321.9040 119143.4245 101556.5753 147208.7233 99892.9189 dehydroascorbic acid 279556.1652 150958.4562 92330.5268 144801.4806 111446.8477 144406.2590 19422.3825 180843.8086 98204.6096 107330.7600 124362.8815 115876.5531 158096.1447 20648.6236 82585.8442 deoxyadenosine 280524.1463 230523.0906 178783.1360 218603.7724 119976.8358 117412.3826 100132.9802 76873.0262 68676.8531 20281.3435 38012.7184 10100.6698 8895.6647 8596.6072 31810.2880 deoxycarnitine+ 40499738.3800 42401385.7600 40569149.4600 50843765.8000 41680241.5200 45326697.7500 57835439.2800 55129013.9000 50477056.6400 43026948.2800 36449271.8800 43180240.1800 39471921.4500 37947427.5300 40051771.7300 53498745.0400 61026599.0700 52718123.6700 deoxycytidine 2685235.5610 2645790.8160 2674398.5390 2145247.8710 2242946.2330 2226115.7800 1449371.7400 1252370.4540 1113591.6100 1275582.0300 1293075.4580 1256051.2950 1347161.1100 1573250.5510 1363181.0400 991380.5393 1063122.3880 1043983.7430 deoxyguanosine 160968.0297 195169.3026 229490.2423 176050.5472 212061.8614 523753.5016 216132.4772 36216.3930 176572.8038 118307.7464 259571.1312 198920.8884 202933.4475 235796.9017 600166.9359 232605.4860 177549.2998 deoxyinosine 43360.0258 40684.4906 40356.1258 10492.8843 31598.0417 9964.2841 10480.6863 19226.2819 14108.5058 49394.5137 37964.2782 32693.5460 18044.3474 34931.5280 16237.1992 D-galactonic acid / D-gluconic acid 36497593.3300 31448475.9000 33184332.2700 33856103.0600 30668547.0400 33658487.5400 27142079.9900 28527967.6200 25099713.0500 58090930.8600 52653265.9500 52206113.1300 63286940.3900 60177229.9900 66204086.0900 48559098.5200 52872024.0600 46510877.3300 D-galactosamine/glucosamine-1/6-phosphate 93266.2207 118466.8803 116675.6698 121233.7371 48703.6173 57303.6904 120954.5932 126422.6872 83339.8638 65157.2706 63163.2477 73857.9597 40176.6279 14178.6971 22465.8304 26125.4121 D-glucuronolactone / D-galacturonolactone 986851.7592 804930.3564 726342.3937 730891.6832 651884.9530 745909.2785 573953.7908 660370.4698 471491.6636 668276.6328 673860.7570 672859.0140 634304.1433 659395.2598 637585.9139 435146.9807 464753.5912 430790.8891 dihydroorotate 716369.8990 982020.4670 1239146.1360 293875.9195 296697.9405 502527.4870 115359.6871 219953.1607 225400.0526 796058.8926 656852.3283 658328.9784 711928.2535 729665.8931 668751.9373 123579.1733 161399.8233 127472.7518 dimethylglycine 8302609.9570 7249910.0790 8100015.9740 8964281.6360 7458259.4510 8658984.5290 7539409.8700 8056349.5670 6761880.1790 7550908.8580 6676718.2670 6985264.5100 7961380.6050 7221275.7280 7739878.5850 6073542.1520 5636270.4550 5746264.8520 D-ribose-1/5-phosphate / D-ribulose 5-phosphate 81308.4702 29688.5351 48211.0611 72823.8606 26803.2547 63679.6586 79260.2990 65297.5667 40887.8853 18146.0663 11935.1353 44570.3396 15396.3849 31024.1950 7050.0469 25336.1189 8102.5910 D-sedoheptulose 12736.0954 7704.9791 21075.0518 8856.0579 18392.3453 25986.0401 7566.0435 9440.2135 19707.5833 D-sedoheptulose-7-phosphate 61357.1110 49256.6439 63839.7508 91925.4276 81474.7972 106228.8557 56879.8996 66916.6795 61944.1369 27106.0265 37645.5073 42261.1568 37816.5546 27678.8327 40927.6970 12691.2639 16639.2476 15849.1891 dTMP 413002.9034 417745.5761 332525.8981 552761.9462 363653.1811 391896.1628 230404.3619 291295.8065 262329.7942 621594.9550 792555.4815 700896.2941 628276.2808 721742.4077 801038.2645 473466.0649 458508.9076 386839.6854 epinephrine / normetanephrine 443077.6553 352292.9850 451181.8830 424815.1380 438907.0837 226793.0840 283931.1987 403516.9897 446367.4686 354191.9124 271556.2120 417176.7686 381402.9691 447953.3187 398754.6950 498164.0846 435720.0391 488829.4686 "F-1_6/2_6-DP" 151665.1019 101032.5991 54600.0122 73818.3024 29083.9169 50033.8466 45250.5968 63804.9176 64797.0915 12892.5623 14014.7756 13391.1934 6034.9979 14425.2526 8043.1112 8115.9475 17319.9420 F1P 68431.1329 51582.4141 97502.5814 84970.4629 75130.0343 106846.4804 77931.1153 93113.4790 95793.7187 115594.1720 111558.7797 81520.7786 108679.7571 87052.8444 142114.9327 90078.2071 F6P / G1P / G6P 218749.5679 144996.1204 149811.8627 280348.3645 233165.1919 242381.7344 336621.2861 395747.4320 329960.8593 184445.8470 208339.8403 191902.5574 235901.1413 172092.4988 217169.0745 252637.0658 277248.4670 147569.2717 FAD 14433.7428 54785.9174 69486.4373 64156.1721 15302.3976 66074.7057 90204.4100 20830.8609 80245.9236 79302.8638 35946.9251 85618.2319 150360.9472 72359.1359 55176.3374 66155.8563 55197.4547 fructose / mannose 252253.2336 170343.3946 218753.8369 242891.7536 409728.9757 469468.1212 362453.5170 379522.9423 306571.7309 304195.3656 185012.4462 280423.9421 445387.3447 541167.6066 297727.1960 487952.7327 683270.2616 593938.0803 fumaric acid 23777572.5100 22091813.7100 22767524.0700 16607871.4400 14554203.0000 16049763.7700 15020327.8300 15831336.4700 14392126.2800 18119431.6100 17883576.2800 17128507.2900 15775511.5400 15363588.4200 15496855.5600 9231947.2870 10118180.8700 9524276.7280 GABA 8620585.4070 9891389.1730 10568207.0800 24674239.3700 21663211.0400 23800254.8100 18594790.8800 19405165.5000 17874797.1700 11180775.0300 10519541.4600 11163270.5200 17530192.2800 20313304.9400 17779610.8900 15026712.6500 19460644.7500 16088927.0300 galactosamine / glucosamine / mannosamine 670015.6496 777252.9839 701130.2943 673594.8557 463496.8228 562491.2622 472895.6335 487599.7671 515960.9394 553861.9959 527988.7280 447285.1290 514782.4561 527519.1968 565410.3034 562683.3758 666895.2022 596872.7081 galactose / glucose 5865299.8710 446059.1546 393021.0990 900977.7714 914711.5715 1205111.0140 1059058.7340 1322022.2320 1155750.5960 1134432.6920 986443.1736 943256.2595 1028932.9700 1445610.2080 821788.8384 1368712.1940 1099035.4060 1058806.0790 GalNAC / GlcNAC 412800.5734 301769.5644 368784.9113 189778.6381 239535.2458 403389.9129 301599.8822 395529.1881 458275.8414 262196.0900 256340.5672 300264.6507 339882.7273 277410.6275 350840.5178 308696.1907 165762.0545 230522.9560 GAP / DHAP 39833.1260 27049.7448 92449.0434 63426.1796 74436.0310 99753.5442 73419.6054 73127.7746 76221.0678 59002.8031 90075.8336 61143.7832 50979.3386 33709.7008 52628.1453 23186.6802 24234.9877 61016.4540 GDP 499529.1061 982363.1763 1037965.4150 1176914.1650 1237592.0790 1225074.7940 1359604.8500 1650775.9690 1343872.3410 1761567.4060 1993266.0890 1513655.6770 1794848.4450 1897283.6910 2062020.3660 2033437.0950 2401158.4200 1817096.4290 GDP-L-fucose 125288.7551 109573.3374 105919.6839 174426.3668 129652.1985 149639.6292 155686.0013 188895.5020 121278.4150 183736.5539 173298.8758 221102.3525 159439.0371 140751.9954 185580.0657 175470.9666 197111.0290 147065.6357 glutamate 538539012.6000 498925425.0000 527806929.9000 571526094.7000 489726162.9000 566574714.2000 468131370.5000 512361047.9000 447763869.0000 474555187.8000 439599126.0000 443181939.7000 512315262.4000 474521833.4000 496533241.5000 389951394.3000 402267680.8000 385127779.8000 glutamine 141036601.5000 129926753.0000 131618532.7000 168032626.9000 146167351.1000 157168588.9000 125102232.7000 125463911.5000 113578723.2000 41910552.4200 40993998.5000 39470469.1700 55092557.6100 55668714.9100 56066752.8600 99249630.1800 109034841.4000 91671903.6900 glutathione 24747424.6800 23049557.8600 24087395.6400 18577900.9500 15436740.3700 20185399.8700 17110215.7000 19655358.3800 18195346.9000 53002578.1300 43363557.1200 36547761.9200 51788068.9200 54689973.9100 36739791.2600 25387992.3700 28694803.0700 18801868.9000 glutathione disulfide 280822.9384 290481.9547 138980.4775 207052.8789 104373.8564 88080.2881 92385.9326 59782.3165 115656.5204 159269.3323 103942.2188 55061.3442 185894.4178 234976.0076 155981.0183 61566.3140 84573.7163 59661.4366 glyceric acid 5976942.4080 1562558.7700 1444777.7810 1043492.6700 1212824.4570 1596682.6940 1123387.9370 1004097.5850 1197650.1900 2588924.7200 2679221.6880 2648878.6850 2706797.9360 2789014.1870 2557130.8040 1835491.9220 2538982.6840 2125930.1770 glycerol 2/3-phosphate 1774875.5760 1492958.1710 1527465.9640 1339353.3040 1085791.0370 1223136.3920 5550837.7370 5868026.7880 5347009.5650 959733.6709 820558.0713 876747.1910 933227.5982 841248.3094 858803.0281 1063947.5390 1277330.7030 1242871.7350 glycine 39354901.6000 35228181.3500 38371942.8800 41729447.9300 38869502.8200 40249261.4300 38451747.4500 37175369.8000 33095063.8300 34390339.2900 32085501.6500 35180871.6500 38192324.1400 35093045.6200 39993346.1700 34016195.3900 37506866.9000 33692313.4100 GMP 1402200.7350 1505535.1930 1589094.7310 1495840.6090 1174167.5780 1309330.1120 1278423.0590 1124603.5150 976077.2339 9142283.9070 9411591.0050 9783225.5640 8735659.8780 8145376.4050 10537460.6800 8203032.0180 9725827.8260 8981489.0700 GTP 135786.6423 869813.7975 1124446.1990 1642991.6460 1626446.8350 2122383.0210 2426027.7510 2894995.3430 2503234.0290 823783.8298 771224.4345 496016.3136 591739.3115 747309.2801 789034.8058 532345.7742 1015183.3660 756301.5334 guanidine 10425531.1800 4448613.9500 3416458.2350 4874008.4740 3697102.5390 4090885.8420 4615041.1020 4065247.2330 4393229.7160 4240132.4630 3986703.0360 4043147.7670 4197935.1280 4049513.5530 3633006.0120 4131213.0250 5163077.6250 4551910.7960 guanidinoacetate 985053.2512 667978.7358 673759.2516 449633.4454 430503.4587 450937.1865 648529.5999 593568.1491 592301.2680 33692.9137 73870.5017 80342.9793 54674.3832 66063.8558 47580.8344 50652.6734 56090.0209 53026.9875 guanine 1182647.3370 570294.8899 480401.4935 323799.6063 219273.8766 101790.0593 222672.2180 18477.4528 22637.2007 1892036.7330 1853708.0310 1992435.8150 2334831.8550 2273486.9930 2189315.3110 1929645.9160 2122400.7640 2098157.4510 guanosine 50071.0626 52699.8710 17184.9958 38738.4934 11163.5789 23552.6221 11950.7132 87956.3891 71753.9258 78715.3722 45935.0867 44104.4541 31389.1510 33068.8220 39116.1295 33489.3094 histidine 79195720.9400 81642534.2500 86061690.0600 85003593.5400 78089738.5500 85873550.5900 70706670.6000 76605725.5600 63546167.3200 68629297.6600 66898473.3300 64231594.2900 80610675.9300 77051715.4000 84184151.1100 66811319.9400 76467036.9700 66489093.8700 homocysteine 259448.1574 283485.2220 291834.2350 166518.0042 189521.8426 276768.9405 177652.9040 120312.1589 107234.1978 133927.7179 88426.1704 131629.2278 113790.2991 175387.1530 88354.6760 40815.5685 14689.5473 30441.6363 homoserine / threonine / allothreonine 27742247.1500 25795627.7300 27996123.8200 33394206.4600 30148877.0200 32931187.8900 27399354.6400 28702312.1400 24677718.3200 20651942.0200 18230066.9600 19551711.6200 23265521.6000 22232613.0500 22243779.0500 20344960.6500 21609353.9400 19305314.2700 hydroxyphenyllactic acid / HVA 1240702.6450 1087298.4300 1119744.6130 1186670.9670 1052435.0330 1168854.6180 736928.5770 744577.7688 613261.6862 898417.2912 846577.7197 808008.7197 978237.6503 995876.8044 1107974.2190 701049.3094 749043.5654 721620.4528 hydroxypyruvic acid 336633.1251 278785.3250 267746.4383 245586.3387 221686.4468 75288.1978 227299.3176 293066.6449 200773.8512 237115.4468 123197.5544 436045.7607 321947.8339 301273.5365 254185.9457 279842.3392 241440.6323 328952.8588 hypoxanthine 8826159.5130 6905087.4650 6629993.2910 3289182.5800 2841220.3900 1315538.5360 2557247.8970 708092.8936 714744.8532 30662988.3400 28235646.5000 28999641.6300 33204379.0800 34028358.7100 31771788.3200 15536585.1700 17953443.1400 15627727.7600 imidazole-4-acetate 830628.1010 747272.8289 838234.2250 661617.1203 784899.7750 871282.1633 862028.1192 752145.0686 802811.1798 827961.2352 706995.7213 807645.3833 737025.4374 781322.4228 650211.0050 968891.0512 961488.7766 942917.3171 IMP 2594095.5220 2306208.1190 2822382.5230 1943161.4410 1713369.2440 2142021.1200 1278827.4950 1781429.7950 1622934.3920 7804981.5050 8018117.0770 7246985.5110 5968042.2910 6337596.3330 6608188.9380 1801705.9950 2282730.0580 1822386.9230 inosine 171198.0182 176310.9819 111404.3343 35600.4493 54001.3347 36277.4969 9002.2573 28683.7810 41531.3219 506422.4380 485352.8099 376016.0189 485077.3298 439790.6158 443330.6759 291289.6643 408556.3242 252844.0171 kynurenine 290170.2352 207505.7017 286204.5063 211017.1140 208324.5121 257694.6426 114652.1920 199176.2954 178801.6725 182246.9156 191956.2681 167282.5822 235051.5983 202015.5948 258580.8043 173753.8755 201971.6330 138745.5047 lactic acid 1178182962.0000 1078435303.0000 1071511829.0000 594991663.8000 559985593.3000 596947755.8000 627374432.3000 649235887.9000 566893870.9000 833508074.6000 855526708.3000 1479036815.0000 699569289.6000 724229684.3000 708284893.4000 567107328.5000 591893012.9000 519208962.5000 L-arginino-succinate 799979.2856 637551.6611 750540.0933 728369.2581 582123.2560 755949.6860 596721.1989 517082.7763 532444.2652 835538.0814 778411.6965 811782.2146 770893.9847 705548.4408 977895.5688 489078.4392 569149.2149 526907.5560 L-cysteic acid 18720.3798 10308.2462 14219.8499 15982.6406 18512.9689 10854.4160 20332.8638 13582.2917 46268.5834 28542.3344 16679.6857 7120.6069 23940.6560 13065.6874 19972.7496 11607.3307 17962.9365 leucine / leucine(iso) / norleucine 439366504.5000 401229346.7000 429960956.1000 391367065.6000 367892749.6000 398491547.6000 333461347.4000 324514706.0000 298604442.4000 308917462.9000 282213205.4000 282279011.5000 349874518.8000 342329401.4000 356669204.8000 317802803.2000 335215643.1000 302617474.6000 L-NMMA 157609.4053 157478.5024 138795.6457 215352.1504 248018.3320 288456.7093 264623.5580 190028.8906 249635.9935 257444.8114 136868.1382 179401.9127 315132.2581 331101.4963 317677.3396 292967.4105 283734.0156 294514.0544 lysine 2941224.2310 2789063.9090 3210528.5940 3411728.8060 3807724.7530 3921318.2950 4822690.0770 5110864.9340 4591264.5440 3680076.0630 3535707.0740 2945042.3370 4292217.7460 4283224.2480 4163784.4190 4992871.8550 5092823.2110 4570221.3490 maleic acid 13037622.5700 1640219.3860 1806068.1300 2517224.2110 2471431.5470 3083228.6830 2376827.4450 2293017.2140 2417910.0820 3014646.4550 3013452.6870 3954323.8180 2314530.6160 2527210.8350 2412334.9950 2542896.9460 2994701.0340 2505427.3780 malic acid 30697458.9000 18514147.2000 22946908.5700 18630048.3500 8336362.7310 16271563.4000 12908728.9200 17244089.4400 20393580.4300 29509142.0200 40817887.9200 29135521.6500 24125942.9100 22661445.6900 38601911.2700 12372515.8800 18071700.8200 13255579.7700 malonic acid 15580826.7600 7645840.9070 7772445.5070 8483616.1720 8600705.2730 9268684.0270 8658797.9330 9502482.4830 8482126.6400 8912859.9770 10058626.3800 9768690.0150 9287809.1050 9910722.8880 9007890.7250 10149737.3100 10105377.3300 9640083.0570 ManNAC 162056.8599 34631.9633 56634.5190 49329.8018 78808.9188 171650.9679 175563.4117 261914.2485 250587.3988 138114.8925 209194.2962 473034.8618 363148.2519 209786.2384 213581.6434 383447.8246 293925.3969 mesaconic acid 1421514.5160 1213206.6050 1256739.9150 1700536.8950 2042523.8300 2249042.5270 2423207.9790 3050903.6960 2134209.3810 2730518.3400 4291548.3110 2646720.6000 3059300.9810 3856528.8770 5171359.6270 3746359.6480 5672108.2000 2718101.1310 methionine 34582060.1400 32807616.5500 33506818.9200 34434903.3400 31598814.2500 33682998.3600 30273646.3400 30366904.2000 26881941.8800 24082551.9500 22385989.6400 23149368.2400 27352621.9900 28905469.5700 28041071.3000 27728478.1300 29862546.9400 27698057.0500 methylmalonic acid 2462548.1340 1792700.5810 2191301.1280 3500519.1090 2104923.3350 4421729.6630 1637040.7420 2069904.4370 1914037.9490 1881965.6790 1024907.0440 996176.5431 1131596.2340 1993995.1180 2125919.3100 4710869.0220 5253933.9030 3939347.0740 N1-acetylspermine 202363.1846 490490.9204 387411.8177 372444.6404 135675.1318 300549.8816 175359.9843 316680.8155 140201.2733 244792.1678 182212.8840 172733.0780 244535.7171 348540.7828 211869.5685 329489.7779 296771.1889 327712.2281 N1/N8-acetylspermidine 118962.8443 56141.4696 139274.8046 163525.8819 478392.5501 421325.3964 671313.4494 949654.4088 812117.0742 828708.0224 1226425.9180 912721.0344 N-acetylaspartic acid 418624.3344 268906.4068 297712.3237 544939.0775 338337.6698 515472.7335 851377.6437 790683.5606 898282.6408 164125.5498 145096.4356 148548.2443 166824.1165 208639.4046 151761.4518 311404.5374 374118.0633 335106.7849 N-acetyl-b-alanine / N-acetyl-alanine 10441866.0100 10360945.8200 10114517.6700 9951243.3510 9495098.7860 9955184.8300 9495996.4840 9615755.8930 8502113.1440 9716521.6980 9301605.7010 9601093.0140 10859021.9000 10807287.6700 11084235.3900 7813509.3680 8304582.9400 7983302.6060 N-acetyl-DL-serine / O-acetyl-L-serine 24100876.6000 21551495.6600 21906904.7500 24025446.5200 21830377.3600 23553136.4600 23986821.3600 23578153.4900 21850141.1200 23565595.7700 21902658.7100 22695525.1200 27095233.7600 25667826.7300 26889377.6000 21071706.5200 25277835.0800 20565285.2800 N-acetylglucosamine 1/6-phosphate 193503.2406 135711.7007 183194.9373 306911.8567 215782.5334 271247.6179 404238.2958 398465.2838 321686.6243 225059.6454 213675.8687 286059.6607 280873.7202 222345.2517 226407.8176 233661.5831 343584.2036 232160.9786 N-acetyl-L-glutamic acid 709738.1223 592259.5998 727255.4442 887969.0737 713402.5725 858154.8615 790066.2757 745653.7883 664462.0034 779565.3564 622587.5279 629859.0715 751610.8759 761719.8125 789386.7568 739501.9753 674029.3241 666433.5417 NAD+ 5087064.8800 4184808.2370 3779922.8440 4474991.5300 4557541.3660 3851742.7500 5673873.3110 5409794.8120 3873784.0530 16388484.7300 14621381.2500 15915930.6600 14083849.7900 14706842.8100 14458551.3900 10568195.4900 11312048.1500 10493247.9700 N-carbamoyl-L-aspartate 499078.8332 473678.0204 388952.2829 201506.0793 120704.7081 135639.4273 91073.4844 78945.1147 32700.1727 267644.3147 192590.7685 187470.9017 194634.6314 98722.7730 35056.7036 N-formyl-L-methionine 614543.1267 562680.7930 407990.8050 597893.2920 608602.2274 538771.8535 544164.6959 532568.6036 537141.9499 554788.8367 453169.5805 451173.6264 568582.3014 632919.3004 588761.3971 521795.4962 588471.5764 527666.8417 nicotinamide 109106331.7000 140399269.4000 128159515.7000 111792069.6000 104876740.4000 120366759.2000 108826938.3000 113771911.1000 107300967.9000 37102114.4500 33218477.0200 31132234.2000 37507567.3200 31678172.7700 38151293.4300 39570557.3900 58849314.2600 35444268.7300 nicotinamide riboside+ 231787.8725 238321.4325 231502.1940 112427.0800 174444.7251 177100.5783 242042.2327 235264.4817 202901.7818 315751.2346 323827.7216 319610.5900 278736.3189 271770.6277 195749.2260 348208.9219 394106.8432 314880.9781 N-methylaspartic acid 1235461135.0000 1075883445.0000 1162437428.0000 1264804652.0000 1015798737.0000 1196767738.0000 1014040383.0000 1096243415.0000 936870451.0000 1006348310.0000 886262153.1000 939319715.9000 1029988274.0000 907375806.3000 985668952.9000 791137943.4000 769053461.3000 773351115.0000 norepinephrine / pyridoxine 23417221.7700 21958935.1300 22649316.7000 18682945.1100 17891747.1500 18140346.8700 13516477.2700 14531118.5100 12807070.0000 16454502.6700 15247371.5000 14485757.0700 17428424.2100 16009678.2400 16372220.7400 12772553.1100 13750611.4400 11746314.7600 ornithine 640406.9326 479134.0525 557595.8231 615803.1880 632198.6602 722179.1483 898292.8671 1684838.6390 1014899.3670 318000.5140 453175.9938 395881.4473 890081.8106 760294.3011 576650.2822 874094.0084 1095081.1860 1134538.1500 orotic acid 7593158.3160 8015555.3970 7690956.0490 5802642.1230 5773654.7110 6385760.7290 3033461.0570 3801768.9190 3088577.9250 7345131.9690 6849037.7900 6877471.5260 8959550.4940 8631595.6080 8589738.5910 2432372.3350 2709202.9460 2303533.0520 O-succinyl-homoserine 24352.9423 6747.1292 22767.7104 23248.9105 20297.3760 7895.6740 49349.7008 8138.6250 18656.0044 pantothenic acid 21886952.7300 21012406.8900 21327879.6200 23313712.1300 20023746.3000 22614551.0400 15612881.3400 15975231.9800 14326740.0900 19093012.6100 18807453.1400 18044843.3600 21660682.9500 20408759.5600 21590595.6100 14383790.1200 14433112.9000 13059254.5900 phenethylamine 390628.0200 204050.4443 89041.2076 564530.9094 225694.0345 913099.9037 298753.7365 355077.0017 707091.4422 468572.0192 491309.2548 841927.7097 562380.7566 444393.7698 448892.8038 821512.3993 phenylalanine 60908462.7700 56929606.5200 58322588.1000 56719950.3800 52270866.7400 58548967.5400 48810724.6100 49097966.5300 43405605.9900 42019314.8000 38865266.0700 40666537.2000 49808309.2700 48584275.7700 48647119.6500 46210428.7200 48829356.3900 44637394.0500 phenylephrine / synephrine 32101.3172 9151.8161 21777.8828 18608.4748 57159.0071 25197.6297 19011.1060 18149.2559 26437.5480 23620.6496 32633.0293 29482.9213 42776.2064 19123.6734 33139.1736 59871.5677 31850.8942 11410.0734 phosphocreatine 1537927.4000 1445058.1730 1502157.8240 2640795.7840 2183066.0390 2368633.8530 2316976.1150 2424481.3250 2119707.0850 2031024.9020 1889634.4020 1761563.8850 1865020.3870 1773858.5670 2059855.6610 1578096.1470 1825878.1590 1573249.2260 phosphorylcholine+ 792960898.5000 737220430.3000 777944669.2000 954006592.9000 814718298.1000 945554398.3000 899135382.3000 929535587.7000 826576110.1000 1212237526.0000 1172364535.0000 1122882692.0000 1231599527.0000 1154369707.0000 1294822967.0000 1065535826.0000 1200031230.0000 1043788776.0000 proline 718524968.1000 696555841.7000 709946409.3000 606261229.1000 573550712.6000 598612143.6000 489025313.9000 510588475.5000 455954634.1000 929078225.2000 922950718.5000 866323438.4000 999235559.2000 1018720926.0000 983718907.6000 751708706.1000 820350561.5000 736686470.9000 pseudouridine 37043.4410 23613.9138 34903.2918 26839.9335 24475.5005 19194.9790 8904.6662 36463.5389 17304.7853 15660.5921 25071.2084 9478.6254 52089.7411 17564.0001 9421.0610 40358.2095 22126.6210 putrescine 711067.2060 4954483.2980 4802809.1930 971251.0665 6357187.3420 9199020.7350 738236.2884 8876518.2860 7839805.2390 773141.0920 3922009.6940 4376429.4610 616593.8488 5137306.0660 5488162.7610 849474.6730 4971306.1920 3925169.5450 pyridoxal 1270001.5010 1378235.3840 1406481.5480 1147063.6160 1013928.8580 1126161.6630 862641.4465 1082068.8350 1066077.4490 1098991.7260 1079905.1720 945256.7599 1123459.6600 995737.2476 1104714.9030 983137.7071 1176244.0520 846365.2711 pyroglutamic acid 292249991.2000 254188656.5000 240392921.4000 279699836.7000 222913124.4000 220908359.4000 241134237.4000 206435046.4000 184378738.5000 208611236.7000 199575879.8000 229212585.1000 204126353.4000 177089447.8000 244623755.4000 151957813.1000 168231565.8000 169560132.0000 pyrroline hydroxycarboxylic acid 157474045.5000 140040682.0000 149403756.9000 167659248.5000 138528742.8000 161222757.5000 133666385.8000 137373023.8000 120739023.4000 105184566.7000 93238742.2300 98041141.4100 108911037.5000 98312116.6700 106432529.3000 103823399.7000 103791658.5000 98851341.6000 pyruvic acid 25761230.5000 23224031.0800 21360902.3700 21792257.3200 19132415.6500 19741639.9400 24431995.0200 21509217.5200 18654407.9500 29370684.0900 26372014.4500 26168432.0000 26186761.6000 25121213.7600 25490848.1900 15189202.6400 18722775.5400 12929698.2900 S-adenosyl-L-homocysteine 389941.9491 439560.7906 446024.4422 547296.2797 314597.2714 440287.9147 356005.8668 281778.3785 280085.4556 453859.8294 361935.6333 547799.7067 476962.8050 336659.7161 314957.8204 281316.0050 124751.1859 280521.4454 S-adenosyl-L-methionine+ 3648376.8460 3513041.5570 4138114.5550 4176050.9410 4336089.6660 5352062.3180 3841127.0800 3791456.8250 3347159.5820 4038968.7390 4096066.6480 3224079.5040 4429384.6390 4244153.7330 4684801.7320 2814631.8880 2989877.6450 2536408.3190 sarcosine 125701.7504 59092.4108 464928.2089 122682.4932 430459.6454 270093238.9000 260709414.5000 196426700.2000 216595378.7000 219635.3776 serine 7812468.5580 9263967.1300 9893259.0400 12212822.2200 11386605.8700 12519682.2900 18027987.1300 14867772.3800 13672546.9400 6104278.9270 5965603.5470 6167644.8110 5899347.5250 6094044.4300 5918751.5680 9768825.4540 11714749.1000 10673759.8400 serotonin 830907.5713 672319.7989 728593.5132 667122.3667 671033.8296 770052.6110 571111.2902 613839.7806 533707.7506 505960.7740 462392.5566 442409.6623 608681.7382 571551.9482 573550.7906 504198.6573 566508.1303 501684.0417 sorbitol / galactitol / L-iditol / manitol 1893204.2880 556287.8425 663831.4715 570508.0295 598873.2675 677100.2834 709792.0615 785753.9453 707818.3548 561301.7237 550097.7225 534554.2271 581579.2424 613259.0007 646767.7012 847361.5222 915539.5596 885688.9019 spermidine 710968486.4000 783934367.3000 825905857.8000 786942121.5000 691982777.6000 706408610.7000 478627779.1000 363777298.4000 245346178.5000 183289398.1000 149540473.4000 159995588.8000 143722555.5000 142480969.3000 141087236.6000 150543283.2000 151814035.1000 148979651.7000 spermine 1182609420.0000 1261097326.0000 1266319993.0000 1309561682.0000 1203725237.0000 1250406846.0000 1267140470.0000 1250797532.0000 1135054692.0000 1254194226.0000 1156544094.0000 1207199859.0000 1121338147.0000 1158368230.0000 1097761790.0000 1148193605.0000 1206490390.0000 1121589963.0000 succinic acid 55226805.4500 33033203.1000 35663468.4600 23446978.6400 21561371.6400 29904926.1200 19478967.6000 28389358.0000 24383953.1400 61685508.3500 59497025.9200 55531411.5300 51353287.0600 50550761.6100 51036368.6200 37108848.6300 46925772.0400 37413708.7800 taurine 254085662.7000 240394424.6000 245786798.6000 237834509.5000 232951763.0000 239928775.1000 286406948.3000 294752763.6000 260935324.6000 228751370.0000 214770295.4000 214830379.6000 250704937.6000 254409482.1000 237693596.2000 225989470.5000 264675453.2000 230816858.0000 thiamine+ 17070259.8500 17339887.9800 17201604.7700 13272571.7200 13000523.9500 13581045.9000 6483035.8860 6639974.2380 6114790.0790 5251344.5320 5130564.9550 4709131.9780 4546937.4760 5002573.8480 4175464.7690 4370038.7990 4214518.0040 3902325.8820 thiamine diphosphate+ 87597.3239 140861.7907 91028.5972 139017.9498 128790.0360 105010.0971 80656.1353 52174.0158 42762.1542 57350.0443 43964.1458 12719.3900 43357.3334 39087.1794 25103.6556 11977.0096 17684.9920 12550.2370 thiamine phosphate+ 239137.3676 266351.1543 398238.8216 297168.1011 300958.2578 360216.7054 223462.0134 218547.0655 229103.1097 227917.4700 257370.7380 267347.4097 210267.0863 236826.0057 200986.0319 215451.0609 240211.6858 211732.0742 thymidine 51690.4108 41952.5819 53233.9241 34619.1378 14840.0387 31098.3248 7339.4631 7286.0609 8547.8201 16583.3377 8037.2234 21876.7117 7803.4532 11781.3878 thymine 183024.4658 63630.8401 153622.2616 63847.7811 192906.0954 41973.3677 87409.3770 172301.5733 511953.5423 136364.1284 305485.0198 194568.2665 tryptamine 46219.6810 7879.2181 20032.3077 8546.2272 9613.8476 9454.5050 51267.8263 9537.0294 11642.6650 tryptophan 11937817.8900 11120139.4100 11381581.4500 10473982.3700 9881880.2080 11218396.5000 9210647.7380 9287892.4580 8607503.8780 8434412.7240 7956688.0430 8342316.1600 10522655.6800 10368735.6200 10181494.0100 9675106.0810 9965000.6600 9419787.5780 tyrosine 34612955.3800 32807792.0900 33458443.8900 31883419.6800 30668687.5900 31470524.3000 23874801.1100 25649923.0100 22131193.5700 24647964.6600 22734462.8500 23001573.6400 24614626.0400 27776269.5100 26286317.7800 22860479.1200 26772839.9700 21224222.6000 UDP 1000777.1300 1079393.7210 1191952.6840 1389390.3180 1211748.3030 1536298.2440 1277751.6830 1215082.4680 1165047.0720 2806449.2770 2674238.5660 2239497.6430 2621100.3090 2291808.1490 2920466.5370 1954128.2670 2147939.1510 1996388.4710 UDP-D-galactose / UDP-D-glucose 2293909.8510 1915027.4340 2196862.7640 3091508.5430 2580133.8750 2809385.4490 2945447.5540 2876941.4440 2514150.5060 3010376.6250 2893836.2260 2890612.4180 3281879.1030 2922916.0520 3502203.8860 2324479.9250 2914977.3660 2474127.1800 UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamine 9261076.8510 7979246.9530 8671789.9840 12383463.2300 9325085.8260 11214695.8400 12486392.5400 14517893.1300 11362486.9800 11747202.3700 10666308.6800 10572211.4100 11458053.3300 8906494.6130 9651131.1860 8967717.1350 11030606.4200 9671106.3480 UMP 1602689.4200 1380832.9240 1489043.5110 1387669.4450 1033562.6180 1096141.8370 988932.1986 699265.5631 596758.1541 11087215.1100 10600741.8900 11919795.7100 10889177.7500 8851510.4930 11236036.3100 7785656.8090 9410734.0920 9330155.7980 uracil 697766.5983 585096.2330 747732.5626 619350.9930 573423.4517 679039.9491 483508.8497 599942.8640 473629.9830 568299.4253 628065.9812 740026.5609 855233.5129 839389.1936 1080429.7690 460650.9355 676673.4701 474259.3490 uric acid 627390.6377 82216.9804 68751.7004 63110.5817 26738.8717 94401.3887 57786.0923 81462.8653 51558.7848 27004.4936 56264.1312 59174.1421 48964.8565 55374.2914 74978.1688 86191.1485 52674.5163 43522.6395 uridine 186801.7165 163888.1826 104597.4228 90062.2744 73166.8717 36499.4544 54385.5539 52480.8363 39719.3406 246566.6139 310538.3057 263945.7871 296194.7727 253033.2542 281374.0605 196460.0482 221467.6972 234482.2714 UTP 378570.8526 996135.7917 959306.3828 1389308.2020 1202177.5370 1457247.1310 1973476.4300 1602156.9660 1588866.6480 315376.8267 473347.3130 327896.8644 352483.1103 478238.3752 490149.8096 370274.0771 346205.1222 403310.9878 valine / norvaline 18568523.9100 17509371.6900 17970270.8800 17742554.6800 16321794.2100 18200328.2600 16683647.8300 17095087.5700 14940294.7800 13348501.3800 12028205.6600 12007219.4100 14401399.8600 15234165.1300 14132463.9000 13517317.0600 16244732.6500 14036021.0100 vitamin B2 7098.5387 15565.4805 8157.2112 18267.1696 9750.6308 32964.9517 16385.3980 28293.7945 8134.3150 10874.0369 xanthine 2102863.6500 2044891.7650 2105336.6130 1639595.0080 1469504.6330 1531654.3960 1451864.8050 1475418.7700 1248511.1790 1711405.5390 1350794.2160 1372622.8030 1617919.5130 1690527.0220 1503272.3260 1228943.6170 1202121.0870 1156905.7710 XMP 133150.3548 87086.7500 149718.8629 191732.1470 166121.8920 184299.5752 266365.8680 188486.6391 200452.8424 380521.4013 491040.8950 405885.2214 244690.5914 382783.9493 450754.2313 144961.4725 321235.7879 425811.9764 xylitol / arabitol / ribito 1085219.3520 963601.2787 1384572.8010 1409050.9230 1235198.6690 1026832.1590 1386992.0490 1479235.5360 1181992.2710 1393873.8000 1284965.6420 1296393.6440 1379903.1310 1294493.0690 1510654.5500 1206558.5950 1244182.3200 1140280.4200 y-glutamylcysteine 5365123.0970 4926709.7790 5180405.9330 5256247.7860 4594121.8620 5045071.8550 6461862.1950 6231222.4210 5955702.9730 9481401.9780 9580336.9030 10576210.6400 9176158.3000 9211419.9430 10886031.4200 7036464.4400 8768252.4010 8132445.3520 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 1-phenylethylamine C02455 2- / 3-phosphoglycerate C00631 / C00197 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine C04640 2-HG C02630 2-hydroxybutanoic acid C05984 2-keto-isovaleric acid C00141 3- / 7-methylguanine C02230 / C02242 3-hydroxypropanoic acid C01013 3-phosphohydroxypyruvic acid C03232 3-ureidopropionic acid C02642 4-hydroxybutanoic acid C00989 4-hydroxyproline / 5-aminolevulinate C01157 / C00430 5-aminopentanoic acid C00431 5-methylcytosine C02376 5'-methylthioadenosine C00170 6-aminohexanoate C02378 6-phosphogluconic acid C00345 acetoin C00466 acetylcarnitine+ C02571 acetylcholine+ C01996 aconitic acid C00417-C02341 adenine C00147 adenosine C00212 adenylosuccinate C03794 ADP / dGDP C00008 / C00361 a-KG C00026 alanine C00041 allantoin C01551 AMP / dGMP C00020 / C00362 anserine C01262 arginine C02385  asparagine C16438 aspartic acid C16433 ATP / dGTP C00002 / C00286 b-alanine C00099 betaine+ C00719 bilirubin C00486 biotin C00120 butyric acid / (iso) C00246 / C02632 "cAMP(2',3') / cAMP(3',5')" C02353 / C00575 carnitine+ C00487 carnosine C00386 CDP C00112 CDP-choline+ C00307 choline+ C00114 citraconic acid C02226 citramalic acid C00815 citrate / citrate(iso) C00158 / C00311 citrulline C00327 CMP C00055 coenzyme A C00010 creatine C00300 creatinine C00791 CTP C00063 cystathionine C00542 cysteine C00736-C00097 cystine C01420 cytidine C00475 cytosine C00380 dCMP C00239 dehydroascorbic acid C05422 deoxyadenosine C00559 deoxycarnitine+ C01181 deoxycytidine C00881 deoxyguanosine C00330 deoxyinosine C05512 D-galactonic acid / D-gluconic acid C00880 / C00257 D-galactosamine/glucosamine-1/6-phosphate C03783 / C00352 / C06377 / C06156 D-glucuronolactone / D-galacturonolactone C02670 / D06430 dihydroorotate C00337 dimethylglycine C01026 D-ribose-1/5-phosphate / D-ribulose 5-phosphate C00620 / C00117 / C00199 D-sedoheptulose C02076 D-sedoheptulose-7-phosphate C05382 dTMP C00364 epinephrine / normetanephrine C00788 / C05589 "F-1,6/2,6-DP" C00354 / C00665 F1P C01094 F6P / G1P / G6P C00085 / C00103 / C00092 FAD C00016 fructose / mannose C00095 / C00159 fumaric acid C00122 GABA C00334 galactosamine / glucosamine / mannosamine C02262 / C00329 / C03570 galactose / glucose C00124 / C00267 GalNAC / GlcNAC C01074 / C00140 GAP / DHAP C00118 / C00111 GDP C00035 GDP-L-fucose C00325 glutamate C00302 glutamine C00303 glutathione C00051 glutathione disulfide C00127 glyceric acid C00258 glycerol 2/3-phosphate C02979 / C00093 glycine C00037 GMP C00144 GTP C00044 guanidine C17349 guanidinoacetate C00581 guanine C00242 guanosine C00387 histidine C00768 homocysteine C05330 homoserine / threonine / allothreonine C00263 / C00188 / C05519 hydroxyphenyllactic acid / HVA C03672 / C05582 hydroxypyruvic acid C00168 hypoxanthine C00262 imidazole-4-acetate C02835 IMP C00130 inosine C00294 kynurenine C01718 lactic acid C01432 L-arginino-succinate C03406 L-cysteic acid C00506 leucine / leucine(iso) / norleucine C16439 / C16434 / C01933 L-NMMA C03884 lysine C00047/C00739 maleic acid C01384 malic acid C00711 malonic acid C00383 ManNAC C00645 mesaconic acid C01732 methionine C00073 methylmalonic acid C02170 N1-acetylspermine C02567 N1/N8-acetylspermidine C00612 / C01029 N-acetylaspartic acid C01042 N-acetyl-b-alanine / N-acetyl-alanine C01073 / n/a N-acetyl-DL-serine / O-acetyl-L-serine n/a / C00979 N-acetylglucosamine 1/6-phosphate C04501 / C00357 N-acetyl-L-glutamic acid C00624 NAD+ C00003 N-carbamoyl-L-aspartate C00438 N-formyl-L-methionine C03145 nicotinamide C00153 nicotinamide riboside+ C03150 N-methylaspartic acid C12269 norepinephrine / pyridoxine C00547 / C00314 ornithine C01602 orotic acid C00295 O-succinyl-homoserine C01118 pantothenic acid C00864 phenethylamine C05332 phenylalanine C02057 phenylephrine / synephrine C07441 / C04548 phosphocreatine C02305 phosphorylcholine+ C00588 proline C16435 pseudouridine C02067 putrescine C00134 pyridoxal C00250 pyroglutamic acid C01879-C02237 pyrroline hydroxycarboxylic acid C04281 pyruvic acid C00022 S-adenosyl-L-homocysteine C00021 S-adenosyl-L-methionine+ C00019 sarcosine C00213 serine C00716 serotonin C00780 sorbitol / galactitol / L-iditol / manitol C00794 / C01697 / C01507 / C00392 spermidine C00315 spermine C00750 succinic acid C00042 taurine C00245 thiamine+ C00378 thiamine diphosphate+ C00068 thiamine phosphate+ C01081 thymidine C00214 thymine C00178 tryptamine C00398 tryptophan C00806 tyrosine C01536 UDP C00015 UDP-D-galactose / UDP-D-glucose C00052 / C00029 UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamine C00203 / C00043 UMP C00105 uracil C00106 uric acid C00366 uridine C00299 UTP C00075 valine / norvaline C16436 / C01799 vitamin B2 C00255 xanthine C00385 XMP C00655 xylitol / arabitol / ribito C00379/ C01904 / C00532 / C00474 y-glutamylcysteine C00669 METABOLITES_END #END