#METABOLOMICS WORKBENCH nsayles_20230201_123607 DATATRACK_ID:3718 STUDY_ID:ST002872 ANALYSIS_ID:AN004708 VERSION 1 CREATED_ON 09-28-2023 #PROJECT PR:PROJECT_TITLE Comparative multi-omics analyses of cardiac mitochondrial stress in three mouse PR:PROJECT_TITLE models of frataxin deficiency PR:PROJECT_SUMMARY Cardiomyopathy is often fatal in Friedreich Ataxia (FA). However, the FA heart PR:PROJECT_SUMMARY maintains adequate function until disease end stage, suggesting that it can PR:PROJECT_SUMMARY initially adapt to the loss of frataxin (FXN). Conditional knockout mouse models PR:PROJECT_SUMMARY with no Fxn expression show transcriptional and metabolic profiles of PR:PROJECT_SUMMARY cardiomyopathy and mitochondrial integrated stress response (ISRmt). However, PR:PROJECT_SUMMARY ISRmt has not been investigated in models with disease-relevant, partial PR:PROJECT_SUMMARY decrease of FXN. We characterized the heart transcriptomes and metabolomes of PR:PROJECT_SUMMARY three mouse models of partial FXN loss, YG8-800, KIKO-700, and FxnG127V. Few PR:PROJECT_SUMMARY metabolites were significantly changed in YG8-800 mice and did not provide a PR:PROJECT_SUMMARY signature of cardiomyopathy or ISRmt. Instead, several metabolites were altered PR:PROJECT_SUMMARY in FxnG127V and KIKO-700 hearts. Transcriptional changes were found in all PR:PROJECT_SUMMARY models, but differentially expressed genes consistent with cardiomyopathy and PR:PROJECT_SUMMARY ISRmt were only identified in FxnG127V hearts. However, these changes were PR:PROJECT_SUMMARY surprisingly mild even at an advanced age (18-months), despite a severe decrease PR:PROJECT_SUMMARY in FXN levels to 1% of WT. These findings indicate that the mouse heart has PR:PROJECT_SUMMARY extremely low reliance on FXN, highlighting the difficulty in modeling PR:PROJECT_SUMMARY genetically relevant FA cardiomyopathy. PR:INSTITUTE Weill Cornell Medicine PR:LAST_NAME Nicole PR:FIRST_NAME Sayles PR:ADDRESS 407 East 61st St, 5th Floor, New York, NY 10065 PR:EMAIL nms2009@med.cornell.edu PR:PHONE 5167435432 PR:PUBLICATIONS https://journals.biologists.com/dmm/article/doi/10.1242/dmm.050114/328282/Comparative-multi-omics-analyses-of-cardiac PR:DOI http://dx.doi.org/10.21228/M8TD9W #STUDY ST:STUDY_TITLE Comparative multi-omics analyses of cardiac mitochondrial stress in three mouse ST:STUDY_TITLE models of frataxin deficiency ST:STUDY_SUMMARY Cardiomyopathy is often fatal in Friedreich Ataxia (FA). However, the FA heart ST:STUDY_SUMMARY maintains adequate function until disease end stage, suggesting that it can ST:STUDY_SUMMARY initially adapt to the loss of frataxin (FXN). Conditional knockout mouse models ST:STUDY_SUMMARY with no Fxn expression show transcriptional and metabolic profiles of ST:STUDY_SUMMARY cardiomyopathy and mitochondrial integrated stress response (ISRmt). However, ST:STUDY_SUMMARY ISRmt has not been investigated in models with disease-relevant, partial ST:STUDY_SUMMARY decrease of FXN. We characterized the heart transcriptomes and metabolomes of ST:STUDY_SUMMARY three mouse models of partial FXN loss, YG8-800, KIKO-700, and FxnG127V. Few ST:STUDY_SUMMARY metabolites were significantly changed in YG8-800 mice and did not provide a ST:STUDY_SUMMARY signature of cardiomyopathy or ISRmt. Instead, several metabolites were altered ST:STUDY_SUMMARY in FxnG127V and KIKO-700 hearts. Transcriptional changes were found in all ST:STUDY_SUMMARY models, but differentially expressed genes consistent with cardiomyopathy and ST:STUDY_SUMMARY ISRmt were only identified in FxnG127V hearts. However, these changes were ST:STUDY_SUMMARY surprisingly mild even at an advanced age (18-months), despite a severe decrease ST:STUDY_SUMMARY in FXN levels to 1% of WT. These findings indicate that the mouse heart has ST:STUDY_SUMMARY extremely low reliance on FXN, highlighting the difficulty in modeling ST:STUDY_SUMMARY genetically relevant FA cardiomyopathy. ST:INSTITUTE Weill Cornell Medicine ST:LAST_NAME Sayles ST:FIRST_NAME Nicole ST:ADDRESS 407 East 61st St, 5th Floor, New York, NY 10065 ST:EMAIL nms2009@med.cornell.edu ST:PHONE 6469628172 ST:SUBMIT_DATE 2023-02-01 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - KOFemale_1030 Genotype:KIKO | Treatment:KIKO_700 F RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_KOFemale_1030.mzXML SUBJECT_SAMPLE_FACTORS - KOFemale_1059 Genotype:KIKO | Treatment:KIKO_700 F RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_KOFemale_1059.mzXML SUBJECT_SAMPLE_FACTORS - KOFemale_1061 Genotype:KIKO | Treatment:KIKO_700 F RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_KOFemale_1061.mzXML SUBJECT_SAMPLE_FACTORS - KOMale_1040 Genotype:KIKO | Treatment:KIKO_700 M RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_KOMale_1040.mzXML SUBJECT_SAMPLE_FACTORS - KOMale_1042 Genotype:KIKO | Treatment:KIKO_700 M RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_KOMale_1042.mzXML SUBJECT_SAMPLE_FACTORS - KOMale_1069 Genotype:KIKO | Treatment:KIKO_700 M RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_KOMale_1069.mzXML SUBJECT_SAMPLE_FACTORS - MUTFemale_340 Genotype:Mutant | Treatment:G127V F RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_MUTFemale_340.mzXML SUBJECT_SAMPLE_FACTORS - MUTFemale_358 Genotype:Mutant | Treatment:G127V F RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_MUTFemale_358.mzXML SUBJECT_SAMPLE_FACTORS - MUTFemale_390 Genotype:Mutant | Treatment:G127V F RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_MUTFemale_390.mzXML SUBJECT_SAMPLE_FACTORS - MUTMale_226 Genotype:Mutant | Treatment:G127V M RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_MUTMale_226.mzXML SUBJECT_SAMPLE_FACTORS - MUTMale_356 Genotype:Mutant | Treatment:G127V M RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_MUTMale_356.mzXML SUBJECT_SAMPLE_FACTORS - MUTMale_433 Genotype:Mutant | Treatment:G127V M RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_MUTMale_433.mzXML SUBJECT_SAMPLE_FACTORS - HeartY8PTgE_50 Genotype:Mutant | Treatment:YG8-800 RAW_FILE_NAME=mz_201130_philic_posNeg_HF750_T_HeartY8PTgE_50.mzXML SUBJECT_SAMPLE_FACTORS - HeartY8PTgE_94 Genotype:Mutant | Treatment:YG8-800 RAW_FILE_NAME=mz_201130_philic_posNeg_HF750_T_HeartY8PTgE_94.mzXML SUBJECT_SAMPLE_FACTORS - HeartY8PTgE_96 Genotype:Mutant | Treatment:YG8-800 RAW_FILE_NAME=mz_201130_philic_posNeg_HF750_T_HeartY8PTgE_96.mzXML SUBJECT_SAMPLE_FACTORS - HeartY8PTgE_99 Genotype:Mutant | Treatment:YG8-800 RAW_FILE_NAME=mz_201130_philic_posNeg_HF750_T_HeartY8PTgE_99.mzXML SUBJECT_SAMPLE_FACTORS - HeartEX2wt_184 Genotype:Wild-type | Treatment:Control RAW_FILE_NAME=mz_201130_philic_posNeg_HF750_T_HeartEX2wt_184.mzXML SUBJECT_SAMPLE_FACTORS - HeartEX2wt_199 Genotype:Wild-type | Treatment:Control RAW_FILE_NAME=mz_201130_philic_posNeg_HF750_T_HeartEX2wt_199.mzXML SUBJECT_SAMPLE_FACTORS - HeartEX2wt_51 Genotype:Wild-type | Treatment:Control RAW_FILE_NAME=mz_201130_philic_posNeg_HF750_T_HeartEX2wt_51.mzXML SUBJECT_SAMPLE_FACTORS - HeartEX2wt_93 Genotype:Wild-type | Treatment:Control RAW_FILE_NAME=mz_201130_philic_posNeg_HF750_T_HeartEX2wt_93.mzXML SUBJECT_SAMPLE_FACTORS - WTFemale_200 Genotype:Wild-type | Treatment:Control F RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_WTFemale_200.mzXML SUBJECT_SAMPLE_FACTORS - WTFemale_220 Genotype:Wild-type | Treatment:Control F RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_WTFemale_220.mzXML SUBJECT_SAMPLE_FACTORS - WTFemale_221 Genotype:Wild-type | Treatment:Control F RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_WTFemale_221.mzXML SUBJECT_SAMPLE_FACTORS - WTMale_204 Genotype:Wild-type | Treatment:Control M RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_WTMale_204.mzXML SUBJECT_SAMPLE_FACTORS - WTMale_207 Genotype:Wild-type | Treatment:Control M RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_WTMale_207.mzXML SUBJECT_SAMPLE_FACTORS - WTMale_218 Genotype:Wild-type | Treatment:Control M RAW_FILE_NAME=mz_210302_philic_posNeg_NS796_T_WTMale_218.mzXML #COLLECTION CO:COLLECTION_SUMMARY Mice were anesthetized with pentobarbital. Hearts were extracted, washed in PBS CO:COLLECTION_SUMMARY and snap frozen in liquid nitrogen. CO:SAMPLE_TYPE Heart #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 15 mg of cardiac tissue was homogenized in 80% methanol (Sigma) using Tissue SP:SAMPLEPREP_SUMMARY Tearer (BioSpec) on dry ice. Samples were incubated at -80ºC for 4 hours. SP:SAMPLEPREP_SUMMARY Homogenates were then centrifuged at 14,000 rfc for 20 min at 4ºC. The SP:SAMPLEPREP_SUMMARY supernatant was extracted and stored at -80ºC for mass spectroscopy (Weill SP:SAMPLEPREP_SUMMARY Cornell Medicine Meyer Cancer Center Proteomics & Metabolomics Core Facility). SP:SAMPLEPREP_SUMMARY Peak intensities for metabolites were screened for missing values and analyzed SP:SAMPLEPREP_SUMMARY by using MetaboAnalyst software (version 5.0). #CHROMATOGRAPHY CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME SeQuant ZIC-pHILIC (150 x 2.1mm, 5um) CH:COLUMN_TEMPERATURE 30 CH:FLOW_GRADIENT 85% to 30% acetonitrile (ACN) CH:FLOW_RATE 150 μL/min CH:SOLVENT_A 0.1% NH4OH/20 mM CH3COONH4 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 MS acquisition Comments: The Q Exactive was operated in full scan, MS:MS_COMMENTS polarity-switching mode with the following parameters: the spray voltage MS:MS_COMMENTS 3.0 kV, the heated capillary temperature 300 °C, the HESI probe temperature MS:MS_COMMENTS 350 °C, the sheath gas flow 40 units, the auxiliary gas flow 15 units. MS MS:MS_COMMENTS data acquisition was performed in the m/z range of 70–1,000, with 70,000 MS:MS_COMMENTS resolution (at 200 m/z). Data processing Comments: The MS data was processed MS:MS_COMMENTS using XCalibur 4.1 (Thermo Scientific) to extract the metabolite signal MS:MS_COMMENTS intensity for relative quantitation. Metabolites were identified using an MS:MS_COMMENTS in-house library established using chemical standards. Identification required MS:MS_COMMENTS exact mass (within 5ppm) and standard retention times. Software/procedures used MS:MS_COMMENTS for feature assignments: The MS data was processed using XCalibur 4.1 (Thermo MS:MS_COMMENTS Scientific) to extract the metabolite signal intensity for relative MS:MS_COMMENTS quantitation. Metabolites were identified using an in-house library established MS:MS_COMMENTS using chemical standards. Identification required exact mass (within 5ppm) and MS:MS_COMMENTS standard retention times. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples KOFemale_1030 KOFemale_1059 KOFemale_1061 KOMale_1040 KOMale_1042 KOMale_1069 MUTFemale_340 MUTFemale_358 MUTFemale_390 MUTMale_226 MUTMale_356 MUTMale_433 HeartY8PTgE_50 HeartY8PTgE_94 HeartY8PTgE_96 HeartY8PTgE_99 HeartEX2wt_184 HeartEX2wt_199 HeartEX2wt_51 HeartEX2wt_93 WTFemale_200 WTFemale_220 WTFemale_221 WTMale_204 WTMale_207 WTMale_218 Factors Genotype:KIKO | Treatment:KIKO_700 F Genotype:KIKO | Treatment:KIKO_700 F Genotype:KIKO | Treatment:KIKO_700 F Genotype:KIKO | Treatment:KIKO_700 M Genotype:KIKO | Treatment:KIKO_700 M Genotype:KIKO | Treatment:KIKO_700 M Genotype:Mutant | Treatment:G127V F Genotype:Mutant | Treatment:G127V F Genotype:Mutant | Treatment:G127V F Genotype:Mutant | Treatment:G127V M Genotype:Mutant | Treatment:G127V M Genotype:Mutant | Treatment:G127V M Genotype:Mutant | Treatment:YG8-800 Genotype:Mutant | Treatment:YG8-800 Genotype:Mutant | Treatment:YG8-800 Genotype:Mutant | Treatment:YG8-800 Genotype:Wild-type | Treatment:Control Genotype:Wild-type | Treatment:Control Genotype:Wild-type | Treatment:Control Genotype:Wild-type | Treatment:Control Genotype:Wild-type | Treatment:Control F Genotype:Wild-type | Treatment:Control F Genotype:Wild-type | Treatment:Control F Genotype:Wild-type | Treatment:Control M Genotype:Wild-type | Treatment:Control M Genotype:Wild-type | Treatment:Control M 1-Methyladenosine 6371.4340 3350.9100 3215.9160 4183.0560 3708.9950 6496.9430 8198.4480 3184.9640 4619.2540 2514.3830 2034.6080 9367.7800 5196.0630 2959.0380 1-Methylnicotinamide 1213580.0000 1120997.0000 1515973.0000 554540.8000 1469390.0000 1552967.0000 2223429.0000 2330811.0000 1155010.0000 886342.0000 1325493.0000 542208.8000 813349.1000 1966464.0000 1517031.0000 1704972.0000 2020423.0000 920371.9000 1263208.0000 896104.1000 1965060.0000 1799170.0000 1985319.0000 1941939.0000 1227933.0000 1652470.0000 2-Hydroxycaproic acid 231237.1000 350119.7000 165731.8000 271175.4000 181324.0000 284006.0000 333397.0000 438849.8000 239456.7000 177465.2000 331904.9000 237772.6000 533336.8000 631044.9000 761824.6000 296567.4000 372807.6000 306374.0000 570770.8000 306086.3000 313419.1000 289232.0000 199870.8000 240154.5000 221469.3000 290833.4000 2-Hydroxyvaleric acid 431935.3000 482510.8000 409608.9000 831165.7000 1213559.0000 1136692.0000 576753.2000 3003260.0000 421157.6000 665622.7000 1268743.0000 900542.2000 820002.3000 474613.7000 661766.4000 302105.9000 540147.5000 1043311.0000 1455151.0000 404347.7000 646614.4000 469057.1000 469882.2000 1293313.0000 1293068.0000 1582150.0000 3-Hydroxymethylglutaric acid 237620.1000 258514.4000 233382.9000 260759.0000 246235.0000 353795.7000 560233.8000 3079722.0000 241783.5000 272599.1000 587475.3000 268253.2000 521850.8000 755437.4000 655307.0000 474119.8000 655850.9000 514492.4000 558306.7000 483746.3000 257588.2000 258197.5000 265941.6000 302010.9000 245445.0000 257727.3000 3-Methylhistidine 4624852.0000 3215564.0000 2213987.0000 5164323.0000 2787693.0000 4346638.0000 2610372.0000 7248194.0000 2189878.0000 3017856.0000 2452300.0000 1258715.0000 13975970.0000 26620630.0000 21015900.0000 11110500.0000 28536590.0000 14547520.0000 33194880.0000 13052930.0000 4304231.0000 3504596.0000 4940022.0000 4551849.0000 3026281.0000 5185561.0000 3-Phosphoglyceric acid 112428.3000 92212.0500 79566.9600 74355.9900 91264.1100 172092.5000 640232.2000 353588.4000 67011.0900 196454.4000 120919.9000 47166.6800 2595904.0000 5553642.0000 4817855.0000 4385314.0000 6598977.0000 4329215.0000 5643770.0000 2430146.0000 304109.7000 376898.6000 300146.1000 164518.5000 184754.3000 423382.0000 4-Hydroxyproline 583894.3000 685401.5000 728246.1000 639082.8000 722296.4000 856587.6000 3158005.0000 878508.4000 707596.1000 959046.3000 1383580.0000 851983.5000 1030225.0000 1315677.0000 1786146.0000 1116990.0000 1644938.0000 1306916.0000 1598396.0000 1235957.0000 1034122.0000 819961.5000 744732.2000 1096486.0000 754468.3000 585808.1000 4-Trimethylammoniobutanoic acid 7699614.0000 7996581.0000 8189733.0000 8069026.0000 8216790.0000 7301838.0000 9583252.0000 16053300.0000 8895549.0000 16223330.0000 7564922.0000 9605001.0000 11250890.0000 11518710.0000 8776368.0000 8705473.0000 9181994.0000 9672829.0000 13109630.0000 9232108.0000 16344720.0000 14113970.0000 10836240.0000 10209160.0000 8288579.0000 10844800.0000 5-Thymidylic acid 29142.0800 9025.9060 8601.7570 23565.2900 9606.7650 25979.0500 37204.4900 18144.2800 18953.1200 81131.6000 355095.9000 404629.0000 62504.9500 386869.7000 106895.7000 251908.6000 89305.9700 53799.6300 41134.0500 39575.6800 21000.0700 17928.9900 24515.0000 6-Phosphogluconic acid 3759.7420 8278.9440 9151.1610 3503.4160 9449.8270 9549.7860 18313.1300 13991.0900 6032.5030 8275.2000 9497.8150 3108.9490 18992.3000 64426.1500 59406.3600 27771.2700 66887.5000 38714.9200 66880.3800 31866.0500 13743.7500 15648.2300 13535.5100 6569.8360 6906.5570 10060.2100 Acetyl-CoA 217523.5000 216155.3000 98017.4700 134132.0000 144943.8000 128685.1000 89899.1000 242623.4000 85493.8800 89646.2400 139455.1000 127708.0000 307406.3000 58995.4600 143723.5000 51609.2900 150274.8000 177319.7000 506058.8000 273582.2000 115812.3000 186225.4000 194331.1000 56989.7600 186481.7000 130967.2000 Acetylcysteine 8727.6690 9758.6900 19437.5800 7390.2050 19224.2600 22537.6000 37738.9200 40967.5600 9197.6110 18643.7900 21390.2700 11105.6200 20161.4700 45336.0800 27025.2600 51852.4900 82975.1400 43931.2500 83750.2000 32163.3800 35012.2900 30477.7900 32757.8800 35233.1400 18469.3200 41907.9700 Adenine 26337360.0000 23264980.0000 34597140.0000 27454130.0000 27240020.0000 17457320.0000 12060720.0000 10372140.0000 15580540.0000 12192940.0000 13827860.0000 22397930.0000 10291840.0000 17437170.0000 10163650.0000 8058234.0000 17921920.0000 11865550.0000 17850330.0000 16924360.0000 22154190.0000 16333930.0000 27316560.0000 18252160.0000 16526530.0000 13761480.0000 Adenosine 265394400.0000 226816800.0000 339470400.0000 239012500.0000 267400200.0000 174063600.0000 101823700.0000 99507900.0000 169512600.0000 99831600.0000 118116800.0000 213062500.0000 34165130.0000 68567410.0000 25212620.0000 25664160.0000 60707320.0000 42651640.0000 14692660.0000 52657400.0000 218235800.0000 138347600.0000 252814700.0000 170658600.0000 142602800.0000 93866460.0000 Adenosine monophosphate 120834900.0000 106776500.0000 106193500.0000 96140390.0000 120639100.0000 105991300.0000 80605450.0000 118184100.0000 94912710.0000 82097940.0000 85529580.0000 67530520.0000 85404160.0000 169559100.0000 152760800.0000 87782100.0000 157117400.0000 108721300.0000 153211200.0000 49978730.0000 172254200.0000 155734800.0000 162602100.0000 134434800.0000 105731400.0000 57187430.0000 Adenosine triphosphate 196729.7000 226952.4000 145807.2000 154514.1000 182224.2000 724692.5000 3409372.0000 1202542.0000 104608.6000 571533.5000 376182.6000 61599.5100 9571351.0000 2884353.0000 2045916.0000 17639830.0000 17734070.0000 12267670.0000 15040780.0000 24430000.0000 1467391.0000 1471123.0000 877457.4000 423650.0000 332807.1000 3561243.0000 ADP 1493135.0000 1207071.0000 632024.9000 1202381.0000 685868.7000 4207855.0000 9115968.0000 4360609.0000 607991.3000 3909904.0000 2965013.0000 410839.1000 26695960.0000 31362910.0000 28423060.0000 41093030.0000 52629060.0000 31930500.0000 49435640.0000 25315800.0000 7387983.0000 9916264.0000 4272425.0000 3561336.0000 4566875.0000 7065386.0000 ADP-glucose 41428.4400 33176.5900 37329.2200 28856.3600 33618.8300 31286.1400 53641.4600 40914.2300 17458.1900 23183.5200 22684.0500 20421.9200 75082.7300 115436.2000 112941.8000 110433.4000 173745.8000 108933.8000 161894.9000 93143.6100 58640.1300 62758.1000 60483.8700 36731.7900 39698.7000 38894.2000 AICAR 38056.3300 33212.2000 40182.3800 35290.3700 33612.6300 26250.6500 110897.9000 180734.3000 42093.6200 46938.1200 78677.9700 36901.1400 23738.0200 48252.8800 26787.7100 31444.9100 50975.2800 26160.8700 38979.6000 42107.2100 54662.8400 51120.4100 45613.6600 56519.9800 34353.1700 67366.0500 Allantoin 1351395.0000 1035886.0000 1105561.0000 1017249.0000 978957.4000 1446288.0000 2055275.0000 5283705.0000 1075108.0000 661086.9000 1233247.0000 962053.1000 2840919.0000 3536738.0000 3279532.0000 3056397.0000 4390801.0000 3126115.0000 4214550.0000 3138112.0000 1753544.0000 1572283.0000 1355426.0000 1276378.0000 1341880.0000 1825857.0000 Aminoadipic acid 101882.3000 109256.0000 160530.5000 84415.7700 113755.0000 139047.5000 381410.6000 253894.8000 130653.9000 86713.1600 172912.4000 132308.3000 188660.2000 408034.8000 359430.1000 322826.4000 454331.2000 248591.9000 281135.4000 275844.8000 205808.5000 227680.3000 191916.6000 160051.3000 142442.7000 134347.5000 Argininosuccinic acid 359489.9000 540242.5000 515636.2000 376570.2000 329149.3000 663796.7000 402718.7000 530660.9000 477893.2000 265403.8000 514166.3000 399183.6000 194982.3000 594224.4000 327295.4000 272709.8000 586760.5000 304500.0000 350846.4000 568919.1000 784780.8000 435614.3000 581416.6000 411765.0000 404096.0000 453973.4000 Asymmetric dimethylarginine 2697098.0000 1568623.0000 1501816.0000 1863300.0000 2000260.0000 1859107.0000 1978213.0000 3601599.0000 1906167.0000 1766891.0000 1627907.0000 1269458.0000 903599.8000 1610991.0000 1135183.0000 1371056.0000 1709289.0000 1050104.0000 1680105.0000 1559488.0000 2666093.0000 2286108.0000 2587456.0000 1843606.0000 2118236.0000 1944425.0000 Betaine 46988260.0000 68298930.0000 70438100.0000 65590810.0000 59546610.0000 66765840.0000 108078100.0000 60852280.0000 93631080.0000 111245600.0000 84367620.0000 67977460.0000 73386380.0000 87965070.0000 94621350.0000 66529020.0000 92619580.0000 68887850.0000 105120200.0000 58374650.0000 78448030.0000 72227390.0000 68182620.0000 56617530.0000 56217710.0000 157056200.0000 Butyrylcarnitine 63165990.0000 36031980.0000 65054930.0000 53008120.0000 54561940.0000 35647340.0000 28903160.0000 74910260.0000 54538680.0000 37811870.0000 21274380.0000 44311370.0000 37312100.0000 32970770.0000 15877140.0000 14523100.0000 29253420.0000 18349070.0000 52516280.0000 24925520.0000 71844910.0000 59700220.0000 60357530.0000 68132240.0000 41310880.0000 51031720.0000 Caprylic acid 851711.4000 911516.4000 665344.9000 759138.9000 503779.8000 633098.2000 697991.3000 494097.3000 731295.9000 491729.5000 607764.9000 424563.1000 30322970.0000 1838831.0000 2339976.0000 1024627.0000 1302616.0000 1050233.0000 1048990.0000 2536180.0000 1286677.0000 1044404.0000 876335.3000 438036.2000 501916.4000 340867.8000 Carnosine 6018296.0000 4670051.0000 3999910.0000 6602411.0000 7005722.0000 8507003.0000 7315072.0000 8499604.0000 4135368.0000 16646770.0000 5280804.0000 10525450.0000 11928010.0000 4241874.0000 6503873.0000 4135902.0000 6444400.0000 14575530.0000 17008130.0000 4014875.0000 2771949.0000 3297618.0000 3769256.0000 10484610.0000 4652644.0000 1404058.0000 CDP 3541.1730 3306.1870 40106.6900 22542.1600 12344.5000 7678.0590 276750.4000 136506.4000 221210.0000 426457.8000 445622.6000 269700.0000 418576.5000 171555.6000 13279.6000 17778.3600 12853.8300 8750.5460 8586.8970 30486.1800 CDP-Ethanolamine 474692.3000 455829.5000 546070.7000 481061.2000 635559.9000 625385.2000 642110.3000 1078872.0000 397692.1000 429498.6000 528088.6000 294352.2000 865969.6000 1214061.0000 1119989.0000 1104259.0000 1263894.0000 881558.2000 1290715.0000 1215469.0000 716641.3000 598271.9000 588541.8000 555318.3000 568243.5000 827298.9000 Choline 33332200.0000 32417410.0000 53836180.0000 32528480.0000 38170810.0000 41378890.0000 27245140.0000 38249570.0000 32289040.0000 27687030.0000 23593230.0000 25431110.0000 28957840.0000 29872430.0000 36906750.0000 25795180.0000 53997470.0000 21343280.0000 51278620.0000 33735910.0000 39134200.0000 32617800.0000 48096790.0000 34401100.0000 27739780.0000 40767630.0000 cis-Aconitic acid 651879.1000 777772.7000 1003814.0000 614679.1000 630944.8000 1250598.0000 1773017.0000 2531450.0000 1315126.0000 1080647.0000 1331055.0000 980385.4000 3630891.0000 6508048.0000 3853043.0000 5304438.0000 8265601.0000 4475626.0000 5696411.0000 4483571.0000 1950157.0000 1454748.0000 1545206.0000 1393564.0000 1144031.0000 1294334.0000 Citicoline 3816893.0000 3983454.0000 5125610.0000 3280441.0000 4959964.0000 3852241.0000 4980246.0000 2845109.0000 2286562.0000 2581847.0000 3638083.0000 2548730.0000 915116.8000 3325415.0000 1863456.0000 1341559.0000 2419248.0000 1351953.0000 2303451.0000 1760205.0000 5458252.0000 4052274.0000 5054214.0000 4170919.0000 4014858.0000 4746746.0000 Citric acid 6050569.0000 7793751.0000 8452976.0000 5519568.0000 5296640.0000 10678520.0000 14646530.0000 20806140.0000 10082330.0000 9338923.0000 9514486.0000 6465657.0000 40074750.0000 73253290.0000 46999440.0000 62220950.0000 98963470.0000 66738070.0000 71344600.0000 44362760.0000 15003650.0000 12621750.0000 14849850.0000 11707040.0000 8585306.0000 10448960.0000 Citrulline 35159530.0000 38542340.0000 41914280.0000 33311510.0000 36592060.0000 43931500.0000 56508830.0000 93551100.0000 41510820.0000 38401780.0000 45466600.0000 29531600.0000 47012560.0000 77515850.0000 69900680.0000 51151100.0000 101021500.0000 92102260.0000 83898480.0000 54959040.0000 55732700.0000 46774120.0000 56499130.0000 56986960.0000 45090750.0000 58115920.0000 Coenzyme A 1030119.0000 1075117.0000 982902.3000 781631.7000 1053475.0000 941769.5000 1150697.0000 322221.6000 300270.4000 617311.7000 709266.9000 505633.8000 430491.4000 459437.9000 881423.1000 767628.3000 1717172.0000 1092303.0000 1501698.0000 568982.8000 1206639.0000 1102316.0000 1734354.0000 813586.5000 1111230.0000 943000.9000 Creatine 787616500.0000 794372900.0000 833289500.0000 749285200.0000 869645800.0000 855322500.0000 872885000.0000 981141300.0000 682524000.0000 751679700.0000 735467000.0000 682441400.0000 819067900.0000 1112183000.0000 955430200.0000 929996000.0000 1111394000.0000 893617200.0000 1088296000.0000 919705300.0000 1009505000.0000 893140000.0000 936439900.0000 898556300.0000 872746000.0000 864552500.0000 Creatinine 15943400.0000 21624810.0000 24303230.0000 18217360.0000 31255540.0000 26617080.0000 28411320.0000 34918150.0000 23192230.0000 17559790.0000 20675580.0000 18842250.0000 28112850.0000 28884840.0000 32336070.0000 23958560.0000 42726970.0000 30400560.0000 51389800.0000 33413240.0000 23099010.0000 20643660.0000 21899130.0000 23281680.0000 23102090.0000 23195220.0000 Cyclic AMP 30895.1800 36128.2600 41552.6100 32227.1200 34945.4600 46535.6800 31192.4800 22729.0700 37467.0700 38593.4100 24503.4700 16400.5700 37365.7000 59074.3200 34885.4100 32482.7500 87694.8500 34847.8200 68428.2100 33358.2900 88238.0700 70564.2400 51381.5400 42805.7000 46499.2100 58734.1900 Cytidine 2836002.0000 1388879.0000 2140524.0000 2352784.0000 3261981.0000 1570120.0000 3035100.0000 3866799.0000 2154044.0000 1689438.0000 2161040.0000 1426554.0000 872407.4000 2158777.0000 1345823.0000 728537.8000 1555838.0000 1001297.0000 2562371.0000 1684550.0000 4067426.0000 3063335.0000 3422291.0000 3115154.0000 2733405.0000 2591105.0000 Cytidine monophosphate 568808.0000 433493.4000 539662.6000 523346.0000 602596.1000 624751.2000 1241707.0000 1609976.0000 500706.3000 606480.1000 579623.6000 317669.5000 816885.8000 1414943.0000 1778526.0000 866002.1000 1617924.0000 1035513.0000 1547301.0000 449542.2000 994784.7000 1051740.0000 852928.9000 814066.9000 745512.3000 792952.2000 Cytosine 330882.0000 226003.4000 275489.8000 293387.1000 271872.7000 237456.4000 232302.4000 299926.7000 269001.5000 232252.6000 208064.1000 241885.6000 202766.8000 290161.9000 187631.2000 130169.4000 320724.7000 144224.8000 230988.3000 251604.4000 371860.9000 283874.2000 307985.7000 259191.2000 258016.2000 232526.4000 D-2-Hydroxyglutaric acid 2993413.0000 3211214.0000 3102034.0000 2804253.0000 2381812.0000 3188606.0000 2963371.0000 5127641.0000 2469116.0000 2400298.0000 2794371.0000 2293590.0000 9229574.0000 7106556.0000 8034797.0000 6753397.0000 7537233.0000 8625678.0000 6960903.0000 5773973.0000 2603161.0000 2174641.0000 2492341.0000 2913588.0000 2605753.0000 3854548.0000 Deoxyadenosine 212108.0000 115139.0000 194265.0000 153475.8000 205141.5000 160996.4000 80278.5000 118377.3000 133506.4000 84615.6300 108464.6000 131817.2000 29331.6300 30808.3800 16231.4200 17347.3500 33298.2100 18719.6600 31641.1900 28712.4400 190492.3000 161081.0000 248899.5000 134159.1000 126660.7000 61429.8200 Deoxyinosine 12426.8100 11238.0900 18066.2500 10868.0300 12561.6100 10883.6700 7851.5650 10455.3300 10301.9000 7629.3860 7414.6670 13527.7900 118554.9000 25832.8100 16238.5800 7990.8430 18432.8700 11435.0800 27530.6100 26821.5100 13267.4300 10915.0200 17363.2600 7413.8310 9394.9740 9095.7540 Deoxyribose 5-phosphate 19598.7000 24499.1400 17106.3400 23204.4600 13300.6500 32181.6900 60437.4100 51356.0400 27452.7100 21201.4400 25175.0700 22208.2500 89537.1100 83903.7700 31525.2900 56899.0600 273629.2000 292204.6000 391784.6000 59014.1700 33414.3500 39197.1400 28243.5700 17819.5000 21317.1400 50995.7400 Deoxyuridine 172204.5000 131866.1000 109162.0000 130281.4000 68220.1600 56157.2300 220326.5000 380470.7000 106061.7000 93597.7000 111151.8000 101658.1000 167123.5000 432196.3000 204849.8000 163522.0000 363566.7000 120292.5000 191698.2000 496320.6000 313960.1000 150263.5000 204538.4000 142994.6000 114087.0000 170677.7000 D-Erythrose 4-phosphate 4056.8410 13033.3700 11498.3800 8672.7820 15924.9000 57454.8900 91424.5200 231673.3000 19047.1300 34950.1100 33490.8400 11188.8400 52027.4900 125011.1000 118759.0000 41637.1600 65773.9800 50973.9200 164679.2000 60109.1100 15672.6000 51154.1400 13070.0200 17516.3700 57547.4300 79182.7400 D-Fructose 54236.1300 82340.0100 67529.4000 61696.7200 87321.5100 319597.3000 82128.8000 102166.8000 67478.2300 62477.0500 96521.3800 63565.8000 80285.9900 272917.8000 339700.9000 132433.6000 140936.4000 110619.6000 212976.4000 149015.8000 103882.9000 142643.3000 89274.4300 83269.7500 105566.7000 155770.0000 D-Glucose 583535.8000 922337.8000 392253.3000 427254.6000 482437.8000 2969051.0000 979980.8000 1294421.0000 901310.6000 577849.3000 1491762.0000 524179.4000 1126334.0000 2586331.0000 2848020.0000 1180857.0000 858341.7000 514145.0000 1431573.0000 1133776.0000 668144.1000 873566.3000 598306.7000 824107.3000 778384.4000 712511.4000 D-Glucuronic acid 52093.8400 60238.8500 39577.4800 62474.4100 31774.1600 153783.2000 68944.2700 92701.3800 43455.6100 37517.0900 49364.5000 34613.0500 46413.8000 58352.5300 48456.6900 44896.9600 56076.5400 29404.2600 52369.2900 41388.7700 98046.8200 85334.2900 76153.7500 45430.3000 40599.0600 64168.1000 D-Glyceraldehyde 3-phosphate 62764.8200 51718.5300 24493.5500 19930.4800 25726.7100 81501.2000 166696.7000 423784.1000 48837.3300 39273.1600 94614.0100 26770.7900 95579.9800 74449.7100 165770.6000 53589.3600 106345.9000 111368.6000 249699.6000 69562.5900 34296.1100 65233.5400 28335.4100 35038.4100 43227.2000 38821.3900 D-Ribose 16957.6200 19564.0500 18978.2800 17098.6600 12566.9700 9568.5950 7995.9410 16102.5100 12389.6300 9019.9250 10282.2500 17104.7600 18500.3000 23842.9500 21526.8300 13630.5200 24085.8900 17010.9100 29422.0200 23005.2000 15646.1000 13657.4900 13031.2600 4546.5360 5086.9840 11431.2200 D-Ribose 5-phosphate 770218.3000 1248207.0000 791817.2000 696591.8000 729780.7000 577190.8000 389601.2000 785786.1000 1065274.0000 279853.4000 510233.8000 990473.6000 236401.2000 379476.2000 474384.2000 161799.1000 369885.9000 340993.2000 418508.2000 224075.7000 309816.5000 468303.5000 333464.8000 293518.2000 344151.8000 249667.0000 D-Ribulose 5-phosphate 1340326.0000 1663411.0000 2190032.0000 1531078.0000 1696765.0000 1100902.0000 642645.4000 644135.9000 1225312.0000 546482.4000 753620.0000 1345210.0000 439199.1000 1945843.0000 1103342.0000 588124.9000 1831053.0000 856239.5000 1152785.0000 1116227.0000 1222423.0000 1030675.0000 1210314.0000 603338.8000 601456.8000 851384.3000 D-Sedoheptulose 7-phosphate 107970.8000 129636.7000 181737.2000 105164.9000 130819.9000 92158.1000 92670.0900 119601.3000 123167.8000 68121.6100 76413.3800 110300.8000 68666.7500 233939.3000 173641.5000 97699.6200 170760.3000 97295.1900 173495.9000 151462.6000 140110.9000 117859.4000 112657.5000 83266.8000 72898.9200 95142.5800 FAD 632047.4000 556712.3000 624488.4000 590227.3000 620013.2000 539286.2000 535641.9000 547074.1000 288963.5000 296266.3000 333228.8000 302855.1000 1360582.0000 1979814.0000 1295081.0000 1999672.0000 2990152.0000 1901345.0000 2735249.0000 1734768.0000 1324830.0000 962281.3000 1148715.0000 564562.2000 600788.9000 603473.0000 Fructose 6-phosphate 352238.3000 463866.1000 494584.8000 263692.9000 925186.1000 3853312.0000 6168142.0000 14419620.0000 1170060.0000 2227083.0000 2232615.0000 537777.1000 3333597.0000 6423252.0000 8613938.0000 2247512.0000 6045312.0000 3788986.0000 11143380.0000 3951036.0000 1465395.0000 2856121.0000 567870.4000 1035371.0000 3624816.0000 5175290.0000 Fumaric acid 4000389.0000 4351036.0000 3675848.0000 3481057.0000 4033682.0000 4078477.0000 3993230.0000 3811360.0000 3277795.0000 3787042.0000 4131289.0000 2889667.0000 5302287.0000 16141130.0000 10876720.0000 8672500.0000 13589340.0000 9669775.0000 11370010.0000 8939394.0000 5041488.0000 3552227.0000 4635476.0000 5010281.0000 3816963.0000 3242894.0000 Galactonic acid 1325693.0000 1201737.0000 1448130.0000 1102252.0000 1276546.0000 1443546.0000 2116812.0000 2342322.0000 1178527.0000 1459184.0000 1464190.0000 997687.6000 1215424.0000 2408875.0000 1888410.0000 1671037.0000 2724003.0000 1312230.0000 2249701.0000 1435954.0000 1989461.0000 1992835.0000 1843290.0000 1650672.0000 1507419.0000 1979361.0000 GDP-glucose 35300.9400 36952.2300 38158.1400 28037.7900 41225.2900 36875.1000 40454.1000 33023.1800 15786.2000 22444.5500 24919.1300 13271.8000 49257.8200 124456.7000 111507.0000 82139.0300 105885.6000 72937.9000 102605.1000 89682.0600 69366.7600 68035.3000 53258.8200 37189.4600 31383.0900 56261.6600 Gluconic acid 1981790.0000 2888716.0000 2495700.0000 1921302.0000 2486361.0000 4261671.0000 4301292.0000 24428180.0000 2249106.0000 2039705.0000 3446137.0000 1917438.0000 2038831.0000 3926487.0000 2586175.0000 2509462.0000 3654660.0000 2018926.0000 4167227.0000 2745989.0000 3445318.0000 2717488.0000 2736447.0000 2835847.0000 2591132.0000 5238439.0000 Glucosamine 6-phosphate 44153.2500 58021.2800 79841.8600 45872.1600 85076.4700 238342.4000 339390.5000 821975.2000 79130.8300 125603.7000 131885.8000 59447.6800 111350.5000 328604.3000 318168.3000 119209.8000 257465.8000 158723.6000 557232.6000 147910.9000 182179.4000 239758.4000 78765.9200 69434.9300 215417.2000 266144.0000 Glucose 6-phosphate 906662.7000 1209950.0000 1065471.0000 737704.5000 1738701.0000 7306079.0000 11964520.0000 29734330.0000 2343725.0000 3959570.0000 4469849.0000 1105352.0000 6648481.0000 13476450.0000 14968440.0000 4471207.0000 8010033.0000 6463410.0000 20362790.0000 8495787.0000 2467669.0000 5514404.0000 1229450.0000 2058213.0000 7264956.0000 9927684.0000 Glutathione 19631120.0000 15002460.0000 18704300.0000 14846450.0000 19496620.0000 16893760.0000 24856260.0000 15958560.0000 14084890.0000 15049620.0000 17217710.0000 14644790.0000 24115200.0000 28222390.0000 29595130.0000 31051540.0000 47607760.0000 34204960.0000 45109400.0000 31392850.0000 21305900.0000 19982870.0000 20277840.0000 21512970.0000 18539360.0000 19289480.0000 Glycerol 3-phosphate 26922820.0000 23432030.0000 32065620.0000 25962480.0000 36392290.0000 28628640.0000 32139740.0000 17673390.0000 17424470.0000 22525660.0000 23556140.0000 21172780.0000 34596220.0000 50444480.0000 52057340.0000 32109040.0000 52183240.0000 34174110.0000 59354140.0000 50019340.0000 40607080.0000 33920900.0000 36829380.0000 29055350.0000 34281280.0000 44614910.0000 Glycerophosphocholine 28894290.0000 23621520.0000 31634190.0000 23506900.0000 32012970.0000 28467350.0000 45805390.0000 37840800.0000 15709740.0000 26455960.0000 25829510.0000 15631320.0000 19062620.0000 46755390.0000 33651100.0000 43972000.0000 50748640.0000 29000330.0000 36061920.0000 35321800.0000 43388410.0000 61020380.0000 42953840.0000 42703450.0000 38995160.0000 54674710.0000 Glycine 11571140.0000 12108160.0000 6539055.0000 10375760.0000 5769027.0000 9194436.0000 11739530.0000 11500660.0000 9134563.0000 7001353.0000 7758738.0000 5599119.0000 1976372.0000 3722031.0000 3808684.0000 1922816.0000 4122455.0000 3672928.0000 3925089.0000 1800502.0000 21206900.0000 18618500.0000 21809970.0000 8543483.0000 6857941.0000 8743009.0000 Guanidoacetic acid 34725.2700 39813.9500 41765.6000 41580.8200 37508.8400 46389.9400 55315.9000 40024.5900 56562.6800 47098.4600 53967.6400 29390.7200 192455.3000 319719.3000 297623.2000 152762.2000 421451.2000 338151.8000 426515.4000 182563.7000 46852.1800 53760.9700 45560.2700 44534.7600 33900.7600 80676.6300 Guanine 170692.6000 112682.1000 221007.1000 95467.7500 131441.3000 98272.4800 78022.9900 55365.2000 78350.4200 55104.6700 66997.2000 96480.8400 55057.3600 162986.8000 170298.0000 53658.9600 134303.6000 87433.9200 95030.3900 112065.3000 217373.6000 95953.7300 197417.5000 109403.1000 84363.1600 63206.3200 Guanosine 1290922.0000 1049633.0000 1886999.0000 1338301.0000 1453577.0000 748351.2000 408835.1000 396081.5000 698994.7000 344358.1000 528924.8000 985721.0000 276352.2000 498858.8000 209852.2000 120292.1000 415013.5000 258568.9000 443335.1000 342498.4000 1327282.0000 672839.3000 1563514.0000 650877.9000 569021.6000 623635.1000 Guanosine diphosphate 78871.2300 68523.7600 35317.4300 46482.2100 41201.0500 71238.9900 203103.6000 165403.2000 36036.4300 83398.1800 63746.7100 18783.8300 563901.3000 1055693.0000 1192122.0000 1078088.0000 1953824.0000 1047708.0000 1744061.0000 516498.1000 238053.2000 268637.5000 217781.3000 65343.1600 66966.5300 226871.6000 Guanosine monophosphate 3589312.0000 3374014.0000 3782440.0000 3116365.0000 3409575.0000 2587054.0000 2755575.0000 3960793.0000 2630133.0000 1751556.0000 2411551.0000 1861610.0000 1660457.0000 4280146.0000 3530187.0000 1522409.0000 3414891.0000 2504902.0000 4007604.0000 1286824.0000 5470112.0000 4845458.0000 5115000.0000 2898986.0000 2604060.0000 1638078.0000 Hexanoylcarnitine 4364366.0000 1798268.0000 3645232.0000 3569655.0000 3472029.0000 1634344.0000 943946.3000 7886575.0000 3323568.0000 2129028.0000 797363.1000 1899701.0000 2354687.0000 3106334.0000 531714.6000 1305416.0000 2820897.0000 1503290.0000 3225621.0000 1101253.0000 5577201.0000 4666316.0000 3746296.0000 5041059.0000 2206162.0000 2585159.0000 Hippuric acid 309640.4000 1062877.0000 438552.7000 248123.6000 177443.5000 395521.0000 605478.8000 379930.6000 356966.4000 175803.8000 382688.5000 235024.8000 90282.6500 181956.9000 263373.0000 111259.9000 306004.2000 120781.5000 327294.4000 148888.9000 460676.2000 313104.8000 157924.4000 212137.4000 82965.6700 110626.5000 Hypotaurine 735710.3000 753181.5000 762180.1000 946799.4000 918784.1000 1098973.0000 910124.5000 755257.7000 522686.8000 1392673.0000 577190.6000 572792.3000 930259.1000 969240.2000 732477.9000 656739.9000 1310469.0000 1109022.0000 1454689.0000 783268.2000 1090520.0000 801553.8000 1073103.0000 1208805.0000 1024861.0000 1810283.0000 Hypoxanthine 27000600.0000 30810080.0000 45114280.0000 29118340.0000 34876040.0000 23192090.0000 13074540.0000 10856610.0000 26130270.0000 12090360.0000 16646220.0000 28325240.0000 4836474.0000 11160540.0000 6328539.0000 2637324.0000 9408070.0000 5474815.0000 9740670.0000 8342797.0000 25149910.0000 20684060.0000 26871910.0000 17295210.0000 15540550.0000 14474890.0000 Imidazoleacetic acid 112710.7000 130705.0000 119717.0000 106522.3000 87340.2700 102354.6000 454025.9000 502965.2000 79600.1300 110448.6000 166679.4000 104574.5000 300585.0000 380269.2000 336531.8000 285052.2000 491367.6000 245456.1000 284185.6000 295926.1000 314843.9000 155447.6000 183975.4000 145979.8000 111129.2000 224609.1000 Indolelactic acid 20917.3100 27862.0000 40329.0700 17344.3900 20229.6700 37233.9500 48266.1300 228474.5000 26594.9200 16998.6500 23644.1500 16401.9200 32226.2300 74897.9500 114194.2000 79552.2800 112736.2000 39985.3000 52655.0900 53580.4800 44905.6400 38872.6000 36589.0200 22837.5500 26520.1600 53683.6700 Indoxyl sulfate 64993.5400 171504.8000 183546.3000 50614.7500 64391.5400 107642.2000 316307.1000 848307.1000 226899.2000 107690.2000 166189.8000 123239.5000 239788.9000 174401.5000 632140.4000 445993.7000 539425.6000 220578.6000 295056.8000 350659.2000 226027.9000 399201.9000 123758.6000 157187.8000 80534.6500 307985.7000 Inosine 15028330.0000 17337440.0000 24743030.0000 17423400.0000 21339660.0000 12766630.0000 5534969.0000 5359646.0000 12364950.0000 6020108.0000 7654168.0000 17324880.0000 2070483.0000 7791389.0000 3894641.0000 1550216.0000 7786942.0000 5355285.0000 18656000.0000 4579352.0000 14890830.0000 11706860.0000 15572960.0000 9585348.0000 8485508.0000 8236727.0000 Inosinic acid 4615604.0000 10478900.0000 8735156.0000 7361269.0000 5965168.0000 3255590.0000 2141418.0000 2777555.0000 10483380.0000 3270334.0000 3000387.0000 14811340.0000 1025396.0000 3564647.0000 3947905.0000 1266946.0000 4286159.0000 2908785.0000 4333656.0000 1499037.0000 9656751.0000 5860319.0000 9774814.0000 3084707.0000 2253563.0000 2553557.0000 Isovalerylcarnitine 3449871.0000 2405405.0000 4315735.0000 2503694.0000 3343954.0000 1977111.0000 1342631.0000 1391618.0000 1479555.0000 2014150.0000 1372506.0000 2392105.0000 859548.3000 970145.8000 795466.5000 516916.0000 912521.2000 606050.9000 1141303.0000 1022644.0000 4117751.0000 3303424.0000 3904445.0000 1922418.0000 1777844.0000 3764420.0000 L-Acetylcarnitine 374861200.0000 317003000.0000 390478100.0000 331420300.0000 387876300.0000 458402600.0000 415639400.0000 364462400.0000 369589200.0000 418349800.0000 332936500.0000 337680000.0000 394978600.0000 375314000.0000 320133000.0000 344206200.0000 380198100.0000 345277200.0000 494450500.0000 343807200.0000 505018200.0000 449644800.0000 457861200.0000 470011200.0000 455692600.0000 523054600.0000 L-Alanine 20447560.0000 26117840.0000 24732620.0000 20627190.0000 25987080.0000 29465850.0000 28506130.0000 10863500.0000 18517460.0000 15918590.0000 22213050.0000 17092550.0000 11722970.0000 32236080.0000 23747530.0000 20030740.0000 27507540.0000 19516290.0000 21919580.0000 27673110.0000 32767430.0000 20390780.0000 28780160.0000 27233660.0000 23458200.0000 18188800.0000 L-Arginine 14383500.0000 13349250.0000 17662880.0000 13517110.0000 17649120.0000 19158420.0000 12282880.0000 14022610.0000 10911010.0000 9452326.0000 12686670.0000 13920280.0000 30821880.0000 42051520.0000 34985260.0000 28526990.0000 39897420.0000 33107670.0000 47270610.0000 36649580.0000 28362410.0000 18441600.0000 24722670.0000 16141620.0000 15039380.0000 18580770.0000 L-Asparagine 9765392.0000 9384049.0000 8426979.0000 7574494.0000 7867542.0000 10540940.0000 16490490.0000 8054350.0000 9297442.0000 10473090.0000 9239360.0000 8159137.0000 8398151.0000 18897610.0000 17905170.0000 9108397.0000 25166320.0000 14900110.0000 16884110.0000 15127140.0000 12585010.0000 10875250.0000 11597110.0000 10189340.0000 9683335.0000 13588040.0000 L-Aspartic acid 21526870.0000 22707590.0000 20995830.0000 12563390.0000 18599070.0000 15870660.0000 20739030.0000 4290596.0000 15873880.0000 14561310.0000 14306640.0000 14246750.0000 4427307.0000 33698650.0000 10538180.0000 11371110.0000 27037140.0000 16372640.0000 11087470.0000 15719240.0000 26059200.0000 21586710.0000 23520170.0000 27381330.0000 20801730.0000 16910720.0000 L-Carnitine 282176400.0000 359951500.0000 322732500.0000 282732200.0000 370211300.0000 357688500.0000 268749900.0000 112252300.0000 233208200.0000 338710200.0000 294467400.0000 295345200.0000 281567500.0000 246635000.0000 313463000.0000 270110500.0000 265692100.0000 318275800.0000 353307500.0000 220351700.0000 366033700.0000 276096700.0000 304944300.0000 290927000.0000 316283700.0000 283733500.0000 L-Cystathionine 44516.3400 39398.2900 43953.9000 53920.6100 44106.4400 48492.4700 103588.1000 95814.5900 51190.1400 56334.9900 60898.0200 44755.7400 60771.8400 66800.1100 58649.8100 41302.0600 82426.5300 53074.8300 97345.5700 47108.4100 53214.2500 68321.0100 34528.8600 68447.9800 52660.4600 92075.5200 L-Glutamic acid 271734000.0000 196037600.0000 272434800.0000 176264900.0000 276613500.0000 232336500.0000 394347400.0000 127914200.0000 215999100.0000 195604400.0000 215294600.0000 207790000.0000 308028100.0000 370822400.0000 360538800.0000 421264300.0000 481801300.0000 354926900.0000 492464000.0000 311684800.0000 326591700.0000 375271800.0000 339851500.0000 301105700.0000 276816100.0000 258234100.0000 L-Glutamine 369294200.0000 355454200.0000 377964900.0000 339597500.0000 388974300.0000 421108300.0000 460767500.0000 393205300.0000 313163500.0000 318602400.0000 356186700.0000 277957300.0000 439776600.0000 590686700.0000 546231000.0000 511051300.0000 502784600.0000 429920100.0000 628833700.0000 466496400.0000 458858000.0000 394809100.0000 447544200.0000 426553300.0000 397679500.0000 475038700.0000 L-Glyceric acid 727165.2000 884399.1000 847295.6000 692657.1000 710918.8000 1119950.0000 1000495.0000 1298762.0000 1597274.0000 626636.6000 1283681.0000 759661.8000 3295691.0000 4570976.0000 3407704.0000 2196250.0000 3903086.0000 3141328.0000 5314576.0000 2283749.0000 1312920.0000 992305.7000 963918.9000 922048.3000 803089.7000 1489308.0000 L-Histidine 15621670.0000 16368120.0000 19365690.0000 14231410.0000 20186920.0000 24778740.0000 24146100.0000 19862610.0000 14685550.0000 18435700.0000 14485870.0000 14776800.0000 23088500.0000 36070130.0000 41498500.0000 27646750.0000 31153710.0000 31888610.0000 33051500.0000 32612580.0000 21219460.0000 17370120.0000 20203680.0000 23202480.0000 18176650.0000 16879790.0000 L-Homoserine 5658439.0000 6822599.0000 6226118.0000 5239065.0000 5896848.0000 7890366.0000 13898760.0000 9910822.0000 5707735.0000 4858560.0000 7544387.0000 5418179.0000 4388373.0000 5659895.0000 6638714.0000 5020935.0000 6663980.0000 5025080.0000 6331131.0000 5798659.0000 8538196.0000 7130542.0000 7321126.0000 8654417.0000 6844656.0000 5632447.0000 L-Isoleucine 8501994.0000 9572320.0000 11983750.0000 7907579.0000 10627700.0000 16361040.0000 7190871.0000 9427839.0000 9850976.0000 6204865.0000 9370625.0000 8115137.0000 5100722.0000 12229640.0000 12182370.0000 10076750.0000 10631460.0000 9157867.0000 6410429.0000 11254310.0000 12883340.0000 11612350.0000 11638230.0000 9241310.0000 10232900.0000 8934961.0000 L-Kynurenine 60387.1100 75744.2000 71536.5800 47186.2500 69310.6000 74817.7000 92502.2600 182474.9000 63052.9500 49845.3900 46191.3400 24892.4000 28895.5900 67843.7300 76926.8300 78371.9300 108359.3000 37134.6700 69229.1300 100357.8000 94491.5800 75656.7000 57939.7000 65776.2200 93536.6300 L-Lactic acid 169244400.0000 267338700.0000 261445000.0000 207064900.0000 310729500.0000 375293400.0000 325843000.0000 288637800.0000 189446000.0000 236581200.0000 293333700.0000 211420300.0000 147056000.0000 280575600.0000 237606700.0000 138446100.0000 245158600.0000 145598900.0000 343703900.0000 269396200.0000 353696100.0000 368864600.0000 258123200.0000 275396000.0000 342071500.0000 409578400.0000 L-Leucine 15174200.0000 17581860.0000 23237780.0000 15787410.0000 18746310.0000 33692560.0000 16982630.0000 14074810.0000 14713220.0000 12076680.0000 19494040.0000 15300970.0000 8918118.0000 20183840.0000 22245660.0000 13801110.0000 18459930.0000 14107450.0000 11935390.0000 17040970.0000 24868450.0000 21093090.0000 22065590.0000 19553180.0000 18917380.0000 18319600.0000 L-Lysine 11529380.0000 10706340.0000 15676180.0000 9317261.0000 10864470.0000 14921790.0000 18170840.0000 10239850.0000 13698380.0000 6382860.0000 10560630.0000 11603130.0000 19503570.0000 38172960.0000 24079760.0000 24183360.0000 33942310.0000 21448070.0000 23732560.0000 30496930.0000 24804840.0000 20807860.0000 20220900.0000 14280870.0000 12132390.0000 27776350.0000 L-Methionine 6615130.0000 6733816.0000 8425951.0000 5887896.0000 7321140.0000 10985370.0000 19492880.0000 9018557.0000 6483392.0000 6555859.0000 9307103.0000 9539885.0000 5006620.0000 10217550.0000 11367150.0000 7068995.0000 7935849.0000 6386064.0000 9610632.0000 6916312.0000 14733370.0000 10700860.0000 12377050.0000 12974150.0000 8470127.0000 13148710.0000 L-Phenylalanine 13479520.0000 13073160.0000 19353060.0000 12854530.0000 15703940.0000 20970670.0000 16907890.0000 21726900.0000 11368070.0000 11774430.0000 14268970.0000 12555420.0000 8949789.0000 14304300.0000 17096500.0000 11664890.0000 15834020.0000 10826780.0000 15318470.0000 12674800.0000 25604590.0000 19322190.0000 20111760.0000 21014340.0000 15842520.0000 28387680.0000 L-Pipecolic acid 1598154.0000 2382589.0000 1188214.0000 1117189.0000 1606892.0000 2008282.0000 2490214.0000 12431520.0000 1746303.0000 2476081.0000 1882760.0000 1833566.0000 1633759.0000 2345875.0000 2398527.0000 1586894.0000 2040335.0000 1976065.0000 3671159.0000 1258945.0000 5899877.0000 1704847.0000 2725160.0000 6239189.0000 4899793.0000 7055733.0000 L-Proline 16384490.0000 18723420.0000 24720120.0000 15901430.0000 20350030.0000 36352660.0000 56937090.0000 35933110.0000 18890830.0000 14151530.0000 27343320.0000 19144870.0000 13538290.0000 27678270.0000 40137820.0000 16800990.0000 25388570.0000 18070780.0000 27591710.0000 23686710.0000 32418320.0000 24048320.0000 25959130.0000 27334670.0000 24444410.0000 37530060.0000 L-Serine 2537263.0000 2761906.0000 2604814.0000 2204859.0000 2116556.0000 3277894.0000 9269479.0000 2097570.0000 3530015.0000 3451057.0000 5687970.0000 2796282.0000 7502519.0000 9339467.0000 14085750.0000 8234312.0000 10342560.0000 13520240.0000 10461240.0000 9606954.0000 3817318.0000 3405479.0000 3619704.0000 2992784.0000 3100327.0000 4929573.0000 L-Threonine 9333299.0000 10674380.0000 10869910.0000 8425009.0000 9172422.0000 13017310.0000 21675410.0000 11154310.0000 9205924.0000 7939485.0000 12605660.0000 8816834.0000 16049500.0000 24133600.0000 23746100.0000 19737170.0000 26724800.0000 21513740.0000 24047080.0000 24400430.0000 13877640.0000 11386880.0000 12822550.0000 14477100.0000 10546330.0000 8991380.0000 L-Tryptophan 3063286.0000 3061181.0000 4159307.0000 2258248.0000 2632448.0000 3670664.0000 3250732.0000 3372511.0000 1933334.0000 1903327.0000 2551541.0000 2362646.0000 1068803.0000 3118999.0000 2858449.0000 2525696.0000 3756326.0000 1455146.0000 2280466.0000 2830347.0000 5132822.0000 4081201.0000 4087451.0000 3013416.0000 2683993.0000 5274324.0000 L-Tyrosine 2265147.0000 1939819.0000 2511355.0000 1789263.0000 2405925.0000 3576466.0000 2154995.0000 1092673.0000 1738728.0000 2416762.0000 2671191.0000 2800415.0000 2710771.0000 3854408.0000 5085611.0000 3134028.0000 4435356.0000 3270366.0000 5130439.0000 3161403.0000 3056042.0000 2721461.0000 2535145.0000 3107761.0000 3009545.0000 4303767.0000 L-Valine 9400164.0000 10771550.0000 13416040.0000 7898157.0000 13097450.0000 17735510.0000 10725510.0000 8126414.0000 9917514.0000 7144383.0000 9531658.0000 9539930.0000 7685948.0000 15708270.0000 15031900.0000 13546950.0000 13246860.0000 11371860.0000 11523060.0000 13418960.0000 14917020.0000 13381340.0000 13958220.0000 12409710.0000 12551670.0000 10966230.0000 Malic acid 51121050.0000 64332840.0000 48379070.0000 50078000.0000 50534320.0000 62390120.0000 60606720.0000 61038670.0000 46836440.0000 64044870.0000 60039470.0000 42757610.0000 69553330.0000 208274800.0000 162741900.0000 111856800.0000 184602900.0000 137919300.0000 125218000.0000 142640800.0000 82035300.0000 56695010.0000 78290290.0000 77927090.0000 59056830.0000 45878710.0000 N6-Acetyl-L-lysine 121310.6000 112784.9000 96182.2400 96259.0700 91823.4300 126198.4000 200038.2000 338996.9000 119536.9000 108236.3000 140223.5000 106909.2000 202462.7000 277843.8000 214717.2000 127180.4000 215597.3000 157422.3000 225807.6000 136089.7000 156445.0000 123988.5000 145192.6000 117022.7000 117928.0000 156791.8000 N6_N6_N6-Trimethyl-L-lysine 8880992.0000 8718554.0000 10019310.0000 8105811.0000 10873590.0000 11198900.0000 10130970.0000 8956501.0000 5759971.0000 4768731.0000 7805768.0000 4719591.0000 4240113.0000 7414900.0000 4419924.0000 4970749.0000 7038377.0000 4276007.0000 6121442.0000 5389745.0000 13251030.0000 13559750.0000 12200740.0000 11188460.0000 11666200.0000 14094160.0000 N-Acetylasparagine 23995.7600 24373.4500 23404.7800 25522.6900 16376.7400 28010.9800 32696.7900 57797.2100 24728.7000 17641.3200 23558.6700 19376.3700 46632.2500 48362.4500 50973.4300 47112.8200 44743.0400 28409.6300 56331.9800 42036.9100 32497.4300 23255.9500 24825.5100 19812.3900 23650.4100 25798.8300 N-Acetylaspartylglutamic acid 33118.5700 64266.0600 39949.5900 37951.4500 41788.1700 40458.6100 42058.6000 26465.8600 44176.0000 21274.1000 40504.2100 33691.9000 19570.3400 164872.4000 21764.6900 18595.8700 26492.7900 18326.6500 25793.5000 26617.4600 22336.7100 53912.5500 22624.9000 16466.3100 34626.0300 132395.0000 N-Acetyl-glucosamine 1-phosphate 114888.3000 84767.9200 119219.1000 115047.7000 87872.5800 62441.2800 84956.2000 412653.8000 81122.7000 51823.1200 59080.7000 67334.4200 52031.6500 120599.5000 93279.6900 65240.2800 141651.7000 81917.2000 104760.6000 96203.9600 91832.0200 68463.4800 122018.8000 108365.4000 92725.6400 59147.9100 N-Acetylglutamic acid 32253.7000 37543.7500 33935.7900 24005.8700 37511.1600 40238.6000 45877.6000 65873.1300 23048.1000 20159.7100 31077.8100 23798.7400 35697.6600 70921.0200 60831.0300 48105.0100 64192.5200 39375.4300 68805.4400 41715.9100 48597.2600 38710.9800 51912.2700 37425.5200 29951.4300 35589.8500 N-Acetylglutamine 28169.3700 21540.9700 27533.5100 19339.4300 34716.0900 45629.7700 79865.6300 229140.0000 37534.4500 26008.4200 60609.8100 45082.0500 19528.0200 22681.5400 11522.5400 36306.6300 18446.2000 24084.8200 17086.1100 9939.4860 51912.7100 29534.4000 41420.1400 77729.8900 45141.8400 31865.5700 N-Acetyl-L-alanine 251274.5000 258197.3000 284432.3000 262588.5000 267703.7000 299886.1000 285470.7000 493957.7000 283353.4000 253251.9000 284870.8000 217567.5000 421729.7000 563225.2000 594669.8000 525642.8000 596405.2000 481998.0000 513095.5000 544999.2000 345520.0000 305635.3000 287233.8000 277634.5000 283081.8000 294600.5000 N-Acetyl-L-aspartic acid 6678803.0000 6815050.0000 6821406.0000 5791753.0000 6310883.0000 7122163.0000 5960037.0000 4941868.0000 5095346.0000 5008634.0000 3820400.0000 3437776.0000 8085273.0000 12397260.0000 9909406.0000 11123900.0000 15136530.0000 10482630.0000 8337267.0000 9403337.0000 6200650.0000 6930258.0000 5816243.0000 7419785.0000 4762507.0000 5528727.0000 N-Acetyl-L-methionine 66434.2900 90692.1300 119741.9000 88236.1000 120235.5000 117343.4000 71977.2200 92573.4100 71404.8400 55302.2100 102001.3000 77438.4300 69215.8500 183036.9000 135686.6000 86682.8400 108416.9000 72372.4100 86947.1300 156884.7000 120777.8000 68731.7100 89110.5800 82458.8800 55397.1300 52990.6600 N-Acetylornithine 95876.9300 95863.7800 99830.3700 78701.7200 127560.9000 113442.3000 98049.0100 122752.9000 109493.4000 92733.1300 74227.5100 83323.6600 403391.7000 542537.3000 429209.3000 300564.5000 499293.8000 469749.8000 891333.3000 302701.2000 136181.1000 126571.1000 143526.8000 149585.5000 138988.5000 256530.6000 N-Acetylputrescine 57955.6800 59553.6300 81836.7700 63829.8700 72135.1300 616046.2000 75354.4700 69251.5900 211608.4000 67834.8900 55138.1300 53831.8600 45571.6400 51035.2500 32556.3200 73960.0100 27913.5100 69006.4300 48587.0600 41786.2100 84281.7800 81494.0300 75064.4800 79409.1900 85031.8400 95001.0700 N-acetyltryptophan 4342.6470 8095.2130 6607.3400 3925.1620 14738.3200 10022.6100 3018.3410 6049.9670 5082.9070 10763.7800 15056.0200 12927.4900 15094.4200 7102.0950 7986.8240 8004.3010 10882.4500 6985.0510 8581.9910 7372.3450 13615.0700 NAD 15898700.0000 16918140.0000 18790580.0000 14314830.0000 14509910.0000 18774480.0000 21295890.0000 17671270.0000 10951730.0000 15612620.0000 12732220.0000 13692490.0000 36601990.0000 54893320.0000 44063790.0000 40156020.0000 64174640.0000 46368270.0000 51829520.0000 49295060.0000 31862900.0000 25291580.0000 29151630.0000 21573230.0000 19416580.0000 27140740.0000 NADH 5638159.0000 5857120.0000 5430487.0000 6045872.0000 4895826.0000 5085977.0000 7602484.0000 5549479.0000 3485013.0000 4323466.0000 4990752.0000 4300093.0000 228805.0000 514439.8000 442553.5000 465490.1000 696507.9000 524754.6000 766160.9000 732833.9000 7716053.0000 5540663.0000 7107028.0000 6358255.0000 5129348.0000 5398239.0000 NADP 187882.2000 181787.4000 158057.8000 174556.0000 161645.8000 161909.7000 173151.6000 99911.0600 89440.8100 119518.9000 116518.8000 79460.0500 730940.9000 1129795.0000 714161.7000 825663.1000 1275398.0000 1050086.0000 1382784.0000 679699.4000 321225.8000 333789.4000 369015.9000 173953.8000 210357.2000 234385.5000 NADPH 240650.1000 160660.8000 125442.6000 170318.8000 112174.2000 145860.5000 179528.0000 119170.0000 94856.6200 97642.7600 113427.8000 105139.7000 48320.9200 56803.7400 131821.1000 81221.5100 156182.8000 87978.2100 102180.7000 49725.0300 266128.6000 231701.8000 301079.1000 176632.1000 137859.6000 117634.9000 N-Formyl-L-methionine 45492.9400 62775.2100 75837.1300 66102.5300 74736.0700 98961.5900 64657.6000 107878.7000 57575.6300 50058.7900 64813.0700 57926.0800 143840.3000 268663.2000 189746.8000 177763.4000 273934.5000 160347.3000 300703.1000 247065.5000 98739.3000 63208.6400 87352.8000 57301.4000 59535.1500 77419.8400 Niacinamide 30416780.0000 31254690.0000 39855820.0000 28508020.0000 41330880.0000 30028340.0000 22174910.0000 40684210.0000 29653090.0000 18604790.0000 27046940.0000 23773090.0000 17008330.0000 36594970.0000 33552260.0000 20004810.0000 43649520.0000 30322350.0000 39446970.0000 12449290.0000 26772190.0000 33775410.0000 35942580.0000 30092700.0000 31123460.0000 12040490.0000 Nicotinamide riboside 333499.5000 249292.2000 532354.2000 311701.2000 395579.2000 190622.8000 135744.5000 400516.1000 180405.5000 196885.6000 169814.3000 284892.3000 4399522.0000 605975.2000 225658.3000 241927.1000 433801.1000 273011.5000 323697.0000 524955.8000 388668.3000 235926.1000 383213.8000 226225.7000 219570.2000 191860.9000 Nicotinamide ribotide 191662.8000 223013.2000 418672.0000 222977.8000 209092.8000 155299.8000 174886.1000 244982.4000 170177.4000 119180.9000 136942.9000 197095.0000 170746.4000 340967.7000 241468.9000 217596.2000 258658.5000 232554.2000 246634.9000 179683.0000 224863.5000 228600.4000 257812.5000 208031.8000 169803.5000 208073.3000 O-Phosphoethanolamine 5475918.0000 5214905.0000 6340238.0000 5077508.0000 6522233.0000 5635197.0000 6823375.0000 8439175.0000 5585007.0000 5815136.0000 5061638.0000 2895814.0000 3766975.0000 10150950.0000 4706819.0000 4672838.0000 7713397.0000 4484271.0000 5774244.0000 7351814.0000 9546291.0000 8854948.0000 9146505.0000 7127477.0000 6956432.0000 7725141.0000 Ornithine 295486.4000 262907.6000 413185.2000 226665.9000 260898.7000 416968.5000 580500.8000 271797.4000 204489.5000 191409.3000 307324.5000 278326.4000 532332.6000 824462.4000 1120387.0000 401773.5000 490418.6000 383859.2000 468570.8000 531829.1000 511629.1000 411944.6000 381603.5000 399049.5000 320705.8000 671495.8000 Orotic acid 59360.2500 79369.8800 95996.5000 62002.5600 56221.7200 95879.8000 215676.7000 42925.2800 89911.6400 110718.8000 100943.2000 87579.7800 227473.0000 304667.4000 234335.7000 173245.7000 258170.6000 205420.2000 246371.6000 193100.7000 102673.4000 64708.3500 69536.6600 57188.1200 68163.0800 98604.8600 Oxidized glutathione 4646745.0000 5260226.0000 6839772.0000 5894438.0000 6192866.0000 6214563.0000 6259286.0000 3311945.0000 3758848.0000 4092978.0000 4319033.0000 3631138.0000 4054815.0000 8804661.0000 4525833.0000 6172933.0000 6780692.0000 4677724.0000 5605923.0000 5812576.0000 9703197.0000 8714365.0000 9442359.0000 8006952.0000 6516556.0000 8577755.0000 Oxoglutaric acid 126145.1000 106950.8000 122348.8000 98348.8800 116034.5000 108635.9000 285413.0000 358960.7000 157822.9000 184032.0000 130522.0000 120877.0000 2847476.0000 2883612.0000 3975938.0000 5543825.0000 5922202.0000 4639268.0000 5470368.0000 2356980.0000 345161.9000 327841.4000 354834.9000 208406.5000 158289.6000 231806.9000 Palmitic acid 1879817.0000 876071.9000 802901.5000 1116980.0000 565478.8000 827073.1000 912767.6000 1962616.0000 943807.0000 825580.0000 547802.8000 1192414.0000 1177535.0000 616245.9000 645936.6000 758682.3000 584186.6000 597172.8000 541518.9000 801404.1000 590393.0000 511973.9000 623763.4000 1584923.0000 795308.6000 2691853.0000 Pantothenic acid 7359175.0000 7921597.0000 9706925.0000 3305366.0000 4940035.0000 6067251.0000 7998186.0000 13543010.0000 5125285.0000 3725953.0000 2317721.0000 2655356.0000 6628359.0000 22558480.0000 16692220.0000 17187490.0000 22533090.0000 8910203.0000 14824300.0000 17845560.0000 10625770.0000 8711101.0000 9775693.0000 6236039.0000 6090055.0000 10296170.0000 Phosphocreatine 7502541.0000 12317320.0000 18629630.0000 15028640.0000 9057816.0000 8983999.0000 14028790.0000 9306447.0000 11465360.0000 11537390.0000 9296534.0000 17083800.0000 8157902.0000 8637530.0000 1510298.0000 29769540.0000 12258390.0000 6172802.0000 5340600.0000 19574210.0000 22780980.0000 9345648.0000 17958640.0000 14083690.0000 11058790.0000 19499570.0000 Phosphoenolpyruvic acid 35131.4100 40518.4900 45950.3400 37169.5300 50058.8200 69455.8000 214414.4000 135122.7000 38336.2800 104155.8000 64795.6500 35247.6100 833302.1000 3768854.0000 2723789.0000 1120424.0000 4239763.0000 3548249.0000 3689962.0000 605071.3000 123508.1000 148770.5000 132345.8000 76534.8500 98431.2300 191828.9000 Phosphorylcholine 80493470.0000 85075780.0000 94099050.0000 88846490.0000 95610900.0000 85976800.0000 134045100.0000 131827000.0000 87056820.0000 94367600.0000 72274310.0000 97900830.0000 110441000.0000 221264000.0000 173347600.0000 146590500.0000 214425500.0000 126454200.0000 172588700.0000 134852300.0000 149096700.0000 140284400.0000 120183000.0000 109605900.0000 95133160.0000 121651000.0000 Phosphoserine 7163.3680 7944.7750 6467.5540 3159.1880 24154.3400 3819.8940 4030.6200 7677.3380 8605.3330 3372.4020 10764.0900 13044.2600 8218.0490 9990.0750 16905.2600 9538.8250 13674.7800 11218.4000 10592.7800 8002.2260 4829.4310 Propionylcarnitine 40369050.0000 52865140.0000 52148140.0000 31699310.0000 58751470.0000 56805640.0000 30351940.0000 17988170.0000 28304300.0000 39786070.0000 43316800.0000 40424410.0000 7400836.0000 33745460.0000 23225790.0000 9069416.0000 23152220.0000 14687260.0000 25513610.0000 14560200.0000 54128360.0000 47040160.0000 53900580.0000 33112940.0000 47448820.0000 44629580.0000 Purine 60143.4800 41285.3700 93522.3200 42998.3200 65678.4500 26772.9300 12617.4800 11148.4000 28150.7900 15915.1900 15530.0600 52279.6600 6362.7910 9066.9870 6400.6830 2626.1000 6630.2290 2661.1110 9449.9010 8518.1610 50746.3800 19336.9600 43590.8000 22207.1600 22756.4400 21466.0300 Pyroglutamic acid 5345357.0000 3787400.0000 4052118.0000 4917519.0000 3794416.0000 4064734.0000 3309952.0000 3920206.0000 3352172.0000 3330410.0000 3307660.0000 3531904.0000 2258738.0000 4854289.0000 2328871.0000 3833361.0000 5009463.0000 3452923.0000 4703870.0000 3255176.0000 2859060.0000 2702781.0000 3099856.0000 2879235.0000 2986762.0000 3829158.0000 Pyruvic acid 385345.4000 452308.1000 422672.2000 356490.1000 434186.8000 473759.2000 467723.1000 501415.4000 407905.2000 372523.8000 393552.1000 400352.0000 577239.3000 850012.3000 800706.6000 675028.1000 909142.3000 1016771.0000 2564794.0000 621329.4000 486936.3000 460480.2000 434243.8000 443553.8000 484737.0000 443744.1000 Riboflavin 7642.9040 16009.7100 16168.4700 10359.7700 5946.3530 30608.9000 16390.3800 15880.4000 11399.9600 9218.8540 14953.8400 17815.9000 27862.1000 15359.9000 10216.5200 13132.0600 8953.4320 7468.7190 8134.5500 S-Adenosylhomocysteine 129003.9000 167824.9000 229886.7000 124970.2000 174611.1000 127543.9000 127438.6000 106403.5000 127243.8000 62790.0000 88416.8400 143122.0000 136922.8000 483925.5000 186025.4000 300481.1000 389135.8000 208290.3000 250468.6000 250346.9000 220284.2000 161943.1000 219882.3000 118620.8000 88592.4000 91420.3900 S-Adenosylmethionine 3863303.0000 3508364.0000 4202756.0000 3459166.0000 4153321.0000 4145061.0000 4977783.0000 2964862.0000 2646385.0000 3095874.0000 3153898.0000 3199127.0000 4896631.0000 8501254.0000 5448809.0000 5093117.0000 11055200.0000 7871893.0000 11959620.0000 6408842.0000 5107590.0000 5594148.0000 6522131.0000 3474031.0000 3222092.0000 4796286.0000 Succinic acid 78681340.0000 81347640.0000 86222160.0000 68820460.0000 85919360.0000 85471230.0000 65270540.0000 75120150.0000 60939840.0000 60117210.0000 70525550.0000 61676110.0000 38770400.0000 106687700.0000 51449170.0000 34184280.0000 67256760.0000 42452950.0000 53865420.0000 107356000.0000 93256420.0000 74362480.0000 86155710.0000 79313330.0000 72920610.0000 62883980.0000 Taurine 318390000.0000 311234100.0000 342307600.0000 306368300.0000 349898200.0000 337287900.0000 378484700.0000 383462000.0000 249435500.0000 274608200.0000 280288700.0000 265076000.0000 452146800.0000 585494100.0000 504369000.0000 490271200.0000 599079600.0000 479527500.0000 651153900.0000 477155700.0000 435215000.0000 374790500.0000 409179500.0000 372322400.0000 365571100.0000 412592500.0000 Thiamine 187420.0000 226774.6000 241262.4000 259426.9000 216526.7000 236099.5000 295649.0000 147421.9000 211206.2000 146370.7000 225748.4000 210018.8000 53245.4100 96935.5600 62771.7300 77413.2500 72354.9500 70114.1000 61309.3900 75696.2200 309332.8000 327496.0000 225203.6000 232599.6000 297024.4000 167746.4000 Thiamine monophosphate 153002.2000 121944.9000 176832.7000 72530.5000 148186.6000 136204.0000 56523.6700 51112.0000 89816.7100 60372.3600 57781.6300 57302.0000 189616.0000 402622.0000 342512.7000 250616.3000 343576.2000 281557.1000 266835.8000 225427.7000 204529.0000 147904.1000 95166.3000 130209.1000 165305.7000 168734.7000 Thymidine 149697.1000 152295.5000 150426.4000 130928.1000 86381.5800 97169.7600 124882.8000 338765.0000 129475.1000 88964.2600 113541.1000 126073.0000 179087.6000 265966.4000 149430.3000 133132.7000 315111.7000 98261.3600 154259.9000 335616.7000 260009.8000 129417.6000 158845.0000 121655.3000 100311.9000 122210.5000 Thymine 100365.8000 107453.8000 106186.6000 111724.9000 90114.4500 91590.2000 111905.5000 189882.1000 111761.8000 90433.9300 104207.7000 114708.9000 100789.6000 120902.4000 93142.3300 136907.5000 117225.5000 78597.7700 87556.5200 270021.8000 141634.3000 125271.8000 122680.9000 101144.6000 104516.0000 134256.3000 Uracil 1599020.0000 1605739.0000 2098582.0000 2245399.0000 1621228.0000 1304727.0000 1681028.0000 1711149.0000 2224288.0000 1200234.0000 1793530.0000 2164287.0000 1022258.0000 2259740.0000 1534342.0000 1109818.0000 1901512.0000 923233.3000 1379789.0000 2246839.0000 1840630.0000 1338854.0000 1523980.0000 942425.2000 1310938.0000 2104888.0000 Ureidosuccinic acid 11854.4300 17064.3900 13405.3700 8555.6330 14323.0300 13883.4700 181154.2000 13951.0900 43001.1800 70269.3000 47282.4600 30427.3900 16124.2400 29397.7200 23661.5300 25109.2400 26848.1700 18986.3400 18461.6600 23015.1700 17801.0300 16904.4200 14441.1300 17635.4600 16668.9200 21966.4600 Uric acid 1243555.0000 1926747.0000 1353622.0000 864282.8000 1424420.0000 1772590.0000 1378305.0000 1176500.0000 984023.9000 1085767.0000 2299273.0000 921447.1000 730404.6000 1408841.0000 1743813.0000 1272801.0000 1296668.0000 745808.8000 902577.6000 773609.8000 1739555.0000 1294622.0000 1839634.0000 1556098.0000 1555741.0000 1525288.0000 Uridine 5109020.0000 4419564.0000 5708842.0000 4266666.0000 6935841.0000 5013369.0000 3791815.0000 4538891.0000 4598511.0000 3277988.0000 4583093.0000 3349551.0000 3439419.0000 8011381.0000 4573081.0000 3075384.0000 6528924.0000 3939260.0000 9263939.0000 5801812.0000 6058741.0000 5178543.0000 6102892.0000 5684360.0000 5002933.0000 3647947.0000 Uridine 5^-diphosphate 35170.4000 20834.9700 16053.0700 21119.4900 19127.7100 61746.6200 376073.1000 237622.6000 21663.7800 116877.3000 67128.2000 10731.0300 3020777.0000 1467779.0000 1856768.0000 5090595.0000 4937294.0000 3555926.0000 5355280.0000 2850467.0000 148083.1000 220131.9000 89681.8400 74625.5100 95944.0800 330789.8000 Uridine 5^-monophosphate 481827.2000 378348.7000 365796.2000 332737.4000 433171.3000 607239.4000 1253456.0000 1733998.0000 505068.5000 681151.7000 806387.4000 245065.6000 827215.8000 1826249.0000 2324451.0000 888241.1000 1674802.0000 1139748.0000 1702352.0000 416159.1000 1230235.0000 1361457.0000 902486.1000 898484.5000 927723.4000 694011.4000 Uridine diphosphate glucose 881400.1000 570114.3000 759613.3000 708349.8000 724566.8000 503023.2000 1074132.0000 649042.0000 482844.9000 511432.1000 535794.0000 421087.8000 3710458.0000 5013200.0000 4759377.0000 5230946.0000 6235189.0000 4610081.0000 7172917.0000 4301903.0000 1355194.0000 1288988.0000 1349519.0000 978647.4000 956031.7000 1296063.0000 Uridine diphosphate glucuronic acid 52279.2500 45493.9300 41564.2600 32480.9100 38616.6100 28196.6200 91121.2700 44318.3800 25036.8600 38419.7100 36329.4900 28406.1000 4476502.0000 3372027.0000 2797128.0000 6089302.0000 5827069.0000 4120024.0000 5310242.0000 4529212.0000 72251.7200 73338.6300 76047.2200 48688.0000 39879.1100 65450.8200 Uridine diphosphate-N-acetylglucosamine 1078372.0000 1067381.0000 1160191.0000 852796.9000 1132434.0000 1223669.0000 2626034.0000 1595763.0000 761701.2000 1100733.0000 1124903.0000 666982.9000 82009.3700 159998.0000 132226.3000 135042.0000 280693.8000 133020.9000 226236.1000 119554.6000 2326916.0000 2288474.0000 1802969.0000 1515555.0000 1340701.0000 2479156.0000 Uridine triphosphate 2812.0940 29812.9500 17708.2500 6320.9880 2966.6830 89344.9000 27332.6600 35042.8300 209495.8000 225151.2000 132909.8000 309638.8000 170298.0000 10454.5500 14074.8700 9742.3420 29259.8500 Urocanic acid 277676.9000 338930.3000 229499.0000 184705.2000 265769.8000 237276.0000 310714.9000 2714931.0000 209841.0000 284733.3000 251797.8000 195492.6000 1003577.0000 1240227.0000 517315.4000 542740.8000 1242765.0000 587385.1000 2296274.0000 333148.8000 235832.4000 216762.9000 223063.6000 278087.2000 212140.3000 214167.9000 Xanthine 3156491.0000 3686851.0000 5086417.0000 3306090.0000 3191265.0000 3383683.0000 1607631.0000 1351730.0000 2132259.0000 1942469.0000 2029774.0000 3206967.0000 6175932.0000 14349390.0000 10024560.0000 6003712.0000 13481510.0000 9450794.0000 12482980.0000 10509420.0000 3719003.0000 2348479.0000 3373392.0000 1813809.0000 2102114.0000 3055664.0000 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-Methyladenosine 1-Methylnicotinamide 2-Hydroxycaproic acid 2-Hydroxyvaleric acid 3-Hydroxymethylglutaric acid 3-Methylhistidine 3-Phosphoglyceric acid 4-Hydroxyproline 4-Trimethylammoniobutanoic acid 5-Thymidylic acid 6-Phosphogluconic acid Acetyl-CoA Acetylcysteine Adenine Adenosine Adenosine monophosphate Adenosine triphosphate ADP ADP-glucose AICAR Allantoin Aminoadipic acid Argininosuccinic acid Asymmetric dimethylarginine Betaine Butyrylcarnitine Caprylic acid Carnosine CDP CDP-Ethanolamine Choline cis-Aconitic acid Citicoline Citric acid Citrulline Coenzyme A Creatine Creatinine Cyclic AMP Cytidine Cytidine monophosphate Cytosine D-2-Hydroxyglutaric acid Deoxyadenosine Deoxyinosine Deoxyribose 5-phosphate Deoxyuridine D-Erythrose 4-phosphate D-Fructose D-Glucose D-Glucuronic acid D-Glyceraldehyde 3-phosphate D-Ribose D-Ribose 5-phosphate D-Ribulose 5-phosphate D-Sedoheptulose 7-phosphate FAD Fructose 6-phosphate Fumaric acid Galactonic acid GDP-glucose Gluconic acid Glucosamine 6-phosphate Glucose 6-phosphate Glutathione Glycerol 3-phosphate Glycerophosphocholine Glycine Guanidoacetic acid Guanine Guanosine Guanosine diphosphate Guanosine monophosphate Hexanoylcarnitine Hippuric acid Hypotaurine Hypoxanthine Imidazoleacetic acid Indolelactic acid Indoxyl sulfate Inosine Inosinic acid Isovalerylcarnitine L-Acetylcarnitine L-Alanine L-Arginine L-Asparagine L-Aspartic acid L-Carnitine L-Cystathionine L-Glutamic acid L-Glutamine L-Glyceric acid L-Histidine L-Homoserine L-Isoleucine L-Kynurenine L-Lactic acid L-Leucine L-Lysine L-Methionine L-Phenylalanine L-Pipecolic acid L-Proline L-Serine L-Threonine L-Tryptophan L-Tyrosine L-Valine Malic acid N6-Acetyl-L-lysine N6,N6,N6-Trimethyl-L-lysine N-Acetylasparagine N-Acetylaspartylglutamic acid N-Acetyl-glucosamine 1-phosphate N-Acetylglutamic acid N-Acetylglutamine N-Acetyl-L-alanine N-Acetyl-L-aspartic acid N-Acetyl-L-methionine N-Acetylornithine N-Acetylputrescine N-acetyltryptophan NAD NADH NADP NADPH N-Formyl-L-methionine Niacinamide Nicotinamide riboside Nicotinamide ribotide O-Phosphoethanolamine Ornithine Orotic acid Oxidized glutathione Oxoglutaric acid Palmitic acid Pantothenic acid Phosphocreatine Phosphoenolpyruvic acid Phosphorylcholine Phosphoserine Propionylcarnitine Purine Pyroglutamic acid Pyruvic acid Riboflavin S-Adenosylhomocysteine S-Adenosylmethionine Succinic acid Taurine Thiamine Thiamine monophosphate Thymidine Thymine Uracil Ureidosuccinic acid Uric acid Uridine Uridine 5'-diphosphate Uridine 5'-monophosphate Uridine diphosphate glucose Uridine diphosphate glucuronic acid Uridine diphosphate-N-acetylglucosamine Uridine triphosphate Urocanic acid Xanthine METABOLITES_END #END