#METABOLOMICS WORKBENCH Sethjparker_20241101_174618 DATATRACK_ID:5333 STUDY_ID:ST003551 ANALYSIS_ID:AN005838 PROJECT_ID:PR002187 VERSION 1 CREATED_ON November 5, 2024, 3:11 pm #PROJECT PR:PROJECT_TITLE N-methyl-arginine significantly reduces intracellular levels of cationic amino PR:PROJECT_TITLE acids and related catabolites in a dose-dependent manner. PR:PROJECT_TYPE Manuscript PR:PROJECT_SUMMARY N-methyl-arginine inhibits the uptake and metabolism of lysine and arginine by PR:PROJECT_SUMMARY competing for similar transporters. In this project, we aimed to determine the PR:PROJECT_SUMMARY cellular effects of N-methyl-arginine using metabolomics by treating HEK293 PR:PROJECT_SUMMARY control (sgTom) or ALDH7A1-KO (sgALDH7A1) cells for 20-24 hours. PR:PROJECT_SUMMARY N-methyl-arginine treatment significantly reduced the levels of arginine, PR:PROJECT_SUMMARY lysine, saccharopine, aminoadipate, piperideine 6-carboxylate, and pipecolate in PR:PROJECT_SUMMARY a dose-dependent manner. PR:INSTITUTE University of British Columbia PR:DEPARTMENT Biochemistry & Molecular Biology PR:LABORATORY Parker laboratory PR:LAST_NAME Parker PR:FIRST_NAME Seth PR:ADDRESS 950 W 28th Ave, Vancouver, British Columbia, V6H 0B3, Canada PR:EMAIL seth.parker@bcchr.ca PR:PHONE 6048753121 #STUDY ST:STUDY_TITLE Metabolomics analysis of N-methyl-arginine-treated HEK293 control (sgTomato) and ST:STUDY_TITLE ALDH7A1-deficient (sgALDH7A1) cells. ST:STUDY_SUMMARY Metabolite analysis of HEK293 cells treated with N-methyl-arginine (NMA), an ST:STUDY_SUMMARY inhibitor of lysine/arginine transport. Cells were treated for 20-24 hours with ST:STUDY_SUMMARY varying concentration of NMA, briefly washed with ice cold 0.9% saline, and ST:STUDY_SUMMARY quenched with 1 mL of ice cold 80% methanol containing 1 ul of ST:STUDY_SUMMARY stable-isotope-labeled internal amino acid standard mix. Metabolites were ST:STUDY_SUMMARY concentrated using a SpeedVac until dry and analyzed by LCMS. The LC was coupled ST:STUDY_SUMMARY to an Exploris 240 mass spectrometer operated in a polarity switching ST:STUDY_SUMMARY data-dependent Top 5 mode. Full MS scan parameters for both positive and ST:STUDY_SUMMARY negative mode were set to 67-1000 m/z at a resolution of 120k and ddMS2 were ST:STUDY_SUMMARY collected at a resolution of 30k. ST:INSTITUTE University of British Columbia ST:DEPARTMENT Biochemistry & Molecular Biology ST:LABORATORY Parker laboratory ST:LAST_NAME Parker ST:FIRST_NAME Seth ST:ADDRESS 950 W 28th Ave, Vancouver, British Columbia, V6H 0B3, Canada ST:EMAIL seth.parker@bcchr.ca ST:PHONE 6048753121 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Not applicable #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Tom_control_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Cell Types=HEK293; Independent experiment=1; RAW_FILE_NAME(Raw file name)=Tom_control_PM1.RAW SUBJECT_SAMPLE_FACTORS - Tom_control_PM2 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Cell Types=HEK293; Independent experiment=2; RAW_FILE_NAME(Raw file name)=Tom_control_PM2.RAW SUBJECT_SAMPLE_FACTORS - Tom_control_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Cell Types=HEK293; Independent experiment=3; RAW_FILE_NAME(Raw file name)=Tom_control_PM3.RAW SUBJECT_SAMPLE_FACTORS - Tom_NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (5 mM) Cell Types=HEK293; Independent experiment=1; RAW_FILE_NAME(Raw file name)=Tom_NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - Tom_NMA_PM2 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (5 mM) Cell Types=HEK293; Independent experiment=2; RAW_FILE_NAME(Raw file name)=Tom_NMA_PM2.RAW SUBJECT_SAMPLE_FACTORS - Tom_NMA_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (5 mM) Cell Types=HEK293; Independent experiment=3; RAW_FILE_NAME(Raw file name)=Tom_NMA_PM3.RAW SUBJECT_SAMPLE_FACTORS - KO_control_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Cell Types=HEK293; Independent experiment=1; RAW_FILE_NAME(Raw file name)=KO_control_PM1.RAW SUBJECT_SAMPLE_FACTORS - KO_control_PM2 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Cell Types=HEK293; Independent experiment=2; RAW_FILE_NAME(Raw file name)=KO_control_PM2.RAW SUBJECT_SAMPLE_FACTORS - KO_control_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Cell Types=HEK293; Independent experiment=3; RAW_FILE_NAME(Raw file name)=KO_control_PM3.RAW SUBJECT_SAMPLE_FACTORS - KO_NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (5 mM) Cell Types=HEK293; Independent experiment=1; RAW_FILE_NAME(Raw file name)=KO_NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - KO_NMA_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (5 mM) Cell Types=HEK293; Independent experiment=3; RAW_FILE_NAME(Raw file name)=KO_NMA_PM3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_0NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Cell Types=HEK293; Independent experiment=4; RAW_FILE_NAME(Raw file name)=HEK293_TOM_0NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_0NMA_PM2 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Cell Types=HEK293; Independent experiment=5; RAW_FILE_NAME(Raw file name)=HEK293_TOM_0NMA_PM2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_0NMA_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Cell Types=HEK293; Independent experiment=6; RAW_FILE_NAME(Raw file name)=HEK293_TOM_0NMA_PM3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_5NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (5 mM) Cell Types=HEK293; Independent experiment=4; RAW_FILE_NAME(Raw file name)=HEK293_TOM_5NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_0NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Cell Types=HEK293; Independent experiment=4; RAW_FILE_NAME(Raw file name)=HEK293_KO_0NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_0NMA_PM2 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Cell Types=HEK293; Independent experiment=5; RAW_FILE_NAME(Raw file name)=HEK293_KO_0NMA_PM2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_0NMA_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Cell Types=HEK293; Independent experiment=6; RAW_FILE_NAME(Raw file name)=HEK293_KO_0NMA_PM3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_5NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (5 mM) Cell Types=HEK293; Independent experiment=4; RAW_FILE_NAME(Raw file name)=HEK293_KO_5NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_10NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (10 mM) Cell Types=HEK293; Independent experiment=4; RAW_FILE_NAME(Raw file name)=HEK293_TOM_10NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_10NMA_PM2 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (10 mM) Cell Types=HEK293; Independent experiment=5; RAW_FILE_NAME(Raw file name)=HEK293_TOM_10NMA_PM2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_10NMA_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (10 mM) Cell Types=HEK293; Independent experiment=6; RAW_FILE_NAME(Raw file name)=HEK293_TOM_10NMA_PM3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_20NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (20 mM) Cell Types=HEK293; Independent experiment=4; RAW_FILE_NAME(Raw file name)=HEK293_TOM_20NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_20NMA_PM2 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (20 mM) Cell Types=HEK293; Independent experiment=5; RAW_FILE_NAME(Raw file name)=HEK293_TOM_20NMA_PM2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_TOM_20NMA_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (20 mM) Cell Types=HEK293; Independent experiment=6; RAW_FILE_NAME(Raw file name)=HEK293_TOM_20NMA_PM3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_10NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (10 mM) Cell Types=HEK293; Independent experiment=4; RAW_FILE_NAME(Raw file name)=HEK293_KO_10NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_10NMA_PM2 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (10 mM) Cell Types=HEK293; Independent experiment=5; RAW_FILE_NAME(Raw file name)=HEK293_KO_10NMA_PM2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_10NMA_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (10 mM) Cell Types=HEK293; Independent experiment=6; RAW_FILE_NAME(Raw file name)=HEK293_KO_10NMA_PM3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_20NMA_PM1 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (20 mM) Cell Types=HEK293; Independent experiment=4; RAW_FILE_NAME(Raw file name)=HEK293_KO_20NMA_PM1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_20NMA_PM2 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (20 mM) Cell Types=HEK293; Independent experiment=5; RAW_FILE_NAME(Raw file name)=HEK293_KO_20NMA_PM2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_KO_20NMA_PM3 Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (20 mM) Cell Types=HEK293; Independent experiment=6; RAW_FILE_NAME(Raw file name)=HEK293_KO_20NMA_PM3.RAW #COLLECTION CO:COLLECTION_SUMMARY Cells were plated in DMEM containing 10% FBS and allowed to attach overnight. CO:COLLECTION_SUMMARY The following morning, the media was aspirated and replaced with DMEM containing CO:COLLECTION_SUMMARY 10% dialyzed FBS and a vehicle (PBS) or 5-20 mM of N-methyl-arginine. Cells were CO:COLLECTION_SUMMARY incubated overnight between 20-24 hours and metabolites were extracted for CO:COLLECTION_SUMMARY analysis by LCMS. CO:SAMPLE_TYPE Epithelial cells #TREATMENT TR:TREATMENT_SUMMARY Cells were treated with a vehicle (PBS) or between 5-20 mM of N-methyl-arginine TR:TREATMENT_SUMMARY added to DMEM containing 10% dialyzed FBS for 20-24 hours before metabolite TR:TREATMENT_SUMMARY extraction and analysis by LCMS. TR:TREATMENT_COMPOUND N-methyl-arginine TR:TREATMENT_DOSE 5-20 mM TR:TREATMENT_VEHICLE PBS #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Dried samples were reconstituted in 50 µL of HPLC-grade water. Samples were SP:SAMPLEPREP_SUMMARY vortexed for ~10 minutes, then centrifuged at 21,000 x g for 15 min at 4°C. 40 SP:SAMPLEPREP_SUMMARY microliters were transferred to LC vials containing glass inserts for analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um) CH:SOLVENT_A 100% water, 10 mM Ammonium Carbonate, pH 9.0 CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 80-20%B (0-30 min), 20-20%B (30-40 minute), and 20-80%B (40-40.5 minute); the LC CH:FLOW_GRADIENT column was re-equilibrated using 80-80%B from 40.5-52 minute before subsequent CH:FLOW_GRADIENT injections CH:FLOW_RATE 100 uL/min CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The LC was coupled to a Thermo Scientific Exploris 240 mass spectrometer MS:MS_COMMENTS operating in heated electrospray ionization mode (HESI) for analysis. The MS:MS_COMMENTS following parameters were set for HESI: spray voltage 3.4 kV (positive) and 2 kV MS:MS_COMMENTS (negative), static spray voltage, sheath gas 25, aux gas 5, sweep gas 0.5, ion MS:MS_COMMENTS transfer tube temperature 320oC, and vaporizer temperature 75oC. The global MS:MS_COMMENTS parameters included an expected peak width of 20 seconds, mild trapping, and a MS:MS_COMMENTS default charge state of 1. A 40-min polarity switching data-dependent Top 5 MS:MS_COMMENTS method was used for positive mode and a data-dependent Top 3 method was used for MS:MS_COMMENTS negative mode. Full MS scan parameters for both positive and negative modes were MS:MS_COMMENTS set as follows: scan range 67-1000 m/z collected in profile mode, Orbitrap MS:MS_COMMENTS resolution 120,000, RF lens 70%, AGC target of 300%, and maximum injection time MS:MS_COMMENTS set to automatic. ddMS2 for positive mode were collected in centroid mode at an MS:MS_COMMENTS Orbitrap resolution of 30,000, isolation window of 1.5 m/z, an AGC target set to MS:MS_COMMENTS standard, a maximum injection time set to automatic, and a normalized collision MS:MS_COMMENTS energy set to 10%, 30%, and 80%. ddMS2 for negative mode were collected in MS:MS_COMMENTS centroid mode at an Orbitrap resolution of 30,000, isolation window of 2 m/z, an MS:MS_COMMENTS AGC target set to standard, a maximum injection time set to automatic, and a MS:MS_COMMENTS normalized collision energy set to 30%. For both positive and negative ddMS2, we MS:MS_COMMENTS applied an intensity threshold of 5e4 and a dynamic exclusion of 5 ppm for 10 MS:MS_COMMENTS seconds, excluding isotopes. A targeted selected ion monitoring (tSIM) scan was MS:MS_COMMENTS also included for pipecolate and P6C/P2C, and the retention time ranges were MS:MS_COMMENTS based on elution of authentic standards (pipecolate) or from positive samples MS:MS_COMMENTS (Aldh7a1-deficient tissues). The tSIM scan for pipecolate was collected from MS:MS_COMMENTS 8-12 minutes in negative mode at an isolation window of 4 m/z (for metabolomics) MS:MS_COMMENTS or 18 m/z (for isotope-tracing experiments, to include m/z shifts), an Orbitrap MS:MS_COMMENTS resolution of 120,000, a RF lens at 70%, an automatic maximum injection time, MS:MS_COMMENTS and collected in profile mode. The tSIM scan for P6C/P2C was collected from 6-10 MS:MS_COMMENTS minutes in positive mode at an isolation window of 4 m/z (for metabolomics) or MS:MS_COMMENTS 18 m/z (for isotope-tracing experiments, to include m/z shifts), an Orbitrap MS:MS_COMMENTS resolution of 120,000, a RF lens at 70%, an automatic maximum injection time, MS:MS_COMMENTS and collected in profile mode. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Ion counts MS_METABOLITE_DATA_START Samples Tom_control_PM1 Tom_NMA_PM1 KO_control_PM1 KO_NMA_PM1 Tom_control_PM2 Tom_NMA_PM2 KO_control_PM2 Tom_control_PM3 Tom_NMA_PM3 KO_control_PM3 KO_NMA_PM3 HEK293_TOM_0NMA_PM1 HEK293_TOM_5NMA_PM1 HEK293_TOM_10NMA_PM1 HEK293_TOM_20NMA_PM1 HEK293_KO_0NMA_PM1 HEK293_KO_5NMA_PM1 HEK293_KO_10NMA_PM1 HEK293_KO_20NMA_PM1 HEK293_TOM_0NMA_PM2 HEK293_TOM_10NMA_PM2 HEK293_TOM_20NMA_PM2 HEK293_KO_0NMA_PM2 HEK293_KO_10NMA_PM2 HEK293_KO_20NMA_PM2 HEK293_TOM_0NMA_PM3 HEK293_TOM_10NMA_PM3 HEK293_TOM_20NMA_PM3 HEK293_KO_0NMA_PM3 HEK293_KO_10NMA_PM3 HEK293_KO_20NMA_PM3 Factors Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (5 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (5 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (5 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (5 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (5 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (5 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (10 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (20 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (5 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (10 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (20 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (10 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (20 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (10 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (20 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (10 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 Control (sgTomato) | Treatment:N-methyl-arginine (20 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:PBS Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (10 mM) Sample source:Cultured cell line | Genotype:CRISPR/Cas9 KO (sgALDH7A1) | Treatment:N-methyl-arginine (20 mM) 10-HYDROXYDECANOATE 1424679.553 1704390.321 1084028.134 1718354.73 1849039.946 2045783.809 1769533.85 1262252.973 1454617.639 1439371.127 1382158.474 1383766.597 1727633.621 1646080.449 1591497.981 1620446.267 1450222.702 2028889.235 1702558.624 2506775.924 1677264.349 1726298.492 1861140.748 2070569.503 2076788.785 2124238.007 2274675.288 2011368.263 2258019.683 2768607.77 2450981.553 1-METHYLNICOTINAMIDE_NF 611985.8758 600757.0317 553776.5028 1024649.187 675093.5802 783359.9893 766376.7541 584172.8861 866845.7565 794120.2031 1151393.85 935789.9047 1191220.829 1257998.388 1348769.455 1141424.451 1205401.581 1305761.018 1509260.799 732300.6971 1067717.992 1264773.424 912177.4389 1464138.358 1767283.264 653510.8171 997065.0082 1195457.715 739725.6201 1166251.209 1397390.75 2,3-DIHYDROXYBENZOATE 586156.5074 378075.512 190996.1555 432174.4924 697374.247 688563.2059 533197.0863 536086.2279 524588.9617 587536.8628 644581.2281 570392.2453 491727.6513 512704.8645 553594.6563 507220.4747 466664.3963 502850.9494 512418.112 2491039.482 3015826.464 1838409.053 2053161.437 2887928.991 2446713.38 680607.0291 659676.5872 564634.6653 738681.7138 722630.4542 563252.6733 2-HYDROXYGLUTARIC ACID 19012916.22 15525346.49 11859660.45 16645749.14 21302055.06 21702377.58 18551051.28 16787510.81 16025551.5 17673894.67 18370620.41 14149137.52 14385788.49 13807306.82 10916755.71 11824654.05 12104562.76 12060782.25 10350647.5 18850387.22 17806735.85 14198193.99 17544827.75 16930344.2 12918907.84 16579195.89 18388248.59 12656333.35 18359872.83 17891048.26 14688900.79 2-OXOADIPIC ACID 468469.1006 148492.1197 130219.0477 202257.7159 631921.5172 93966.74898 117175.147 223881.887 108592.8222 81814.65062 89173.92761 213344.4251 110742.9049 97393.34355 85624.94374 101312.4775 93095.9896 115844.1828 230582.0095 431868.5952 100332.2713 138374.6517 106651.7963 111737.4853 208942.8804 111854.4504 104520.6579 127230.0986 68984.49117 95223.0022 146915.5487 3-METHYL-2-OXOBUTYRATE 5041587.877 2129839.108 2853976.343 4799790.659 10415822.57 10063850.96 9685801.149 3694571.731 3734110.992 4701783.726 5710036.563 2536901.36 2547958.57 2650098.981 2353311.964 2430610.928 1605975.713 2508126.933 2418775.967 8320323.7 8760584.063 5690447.774 10007010.92 9418241.977 6586799.378 3004038.891 4423743.348 4069571.715 8304513.219 8616291.381 5766060.756 3-SULFINOALANINE 2202352.091 2763354.778 5029087.145 7473464.295 3255012.487 4008221.333 5939686.821 1184523.615 2321830.262 3063811.29 5757486.603 1725835.374 2524344.518 3420504.524 5816732.81 2301214.183 3150451.709 4033367.901 6152943.961 2250824.947 4483591.79 6567742.567 5162301.852 7560611.783 9787867.754 1947583.413 4016785.486 5236855.005 5837012.807 7988765.893 8589910.813 4-GUANIDINOBUTANOATE 1217724.483 453040.3166 875802.8608 274120.2884 1377229.721 549092.5483 927030.2666 3146199.105 2128633.215 4805490.936 2320146.823 1900616.851 5666818.374 6943935.063 8868601.12 1880140.28 5315838.716 6732582.602 8585361.162 2530607.425 6313496.574 7768659.818 2540514.296 6185874.358 7942931.532 2295989.41 8506370.837 9341750.768 2070975.597 8973531.866 10836922.18 4-HYDROXY-L-PROLINE 17929783.65 16656748.52 11653580.55 18238657.78 19545775.59 22869106.32 17485141.93 17137029.32 17503034.36 15995263.96 18481089.73 13865530.2 15390107.91 16342910.4 16366541.08 12294408.61 14474578.43 14860848.73 14167810.7 15418537.36 17819049.36 16285853.31 14721055.05 17557630.8 15863312.37 16714149.33 19201118.74 17379488.26 17023311.82 18992397.39 18770502.5 4-IMIDAZOLEACETATE 9126987.112 3609917.173 5166019.414 4050983.342 10684523.29 5137277.789 9112815.478 3631044.25 2338771.012 3992324.796 2612163.26 5711699.205 3386014.345 2657125.133 2053433.551 4756427.764 2982733.859 2519272.817 2134115.791 7632997.224 3294986.046 2467887.581 7456118.08 3262318.934 2407269.051 6848572.026 3134879.42 2192972.227 8175251.762 3157213.909 2383959.968 4-PYRIDOXATE 392062.0892 501109.219 315348.9152 598572.5705 312794.9628 309993.1085 304481.4065 424309.0884 544682.1517 504116.5947 541081.3616 284067.6446 280201.346 320891.55 325959.8105 266239.5306 301533.1076 297644.55 383393.3407 248438.9556 269003.7227 308101.4368 306000.1999 300322.969 309918.0013 352418.7796 291678.3289 299866.8155 242736.8485 317979.3552 303247.9556 5-METHYLCYTIDINE 5297940.699 5130406.943 3617771.873 5283035.686 6303446.605 7048879.983 5813944.05 4417408.176 3866017.101 4649512.588 4555003.589 4278524.205 5299898.883 5078176.932 4253337.836 4002605.665 4308709.443 4297682.986 3677020.834 5282495.009 6026258.937 5205020.277 5136186.304 5856421.229 4576559.588 5695803.852 6097674.136 4722922.605 6084144.704 6516240.61 5445665.882 6-PHOSPHOGLUCONATE 5947860.763 4695078.736 2796416.419 4592252.959 4536952.058 2504688.87 1189861.436 5109771.317 4608076.002 5950743.33 5843585.609 4551049.002 5001949.628 4131897.386 3342285.615 3771222.835 4160951.877 3533528.853 2557215.977 2850403.398 2265011.307 1330002.3 1144726.857 2458987.523 1782741.849 4819145.665 5163574.868 3635536.233 4379811.326 3157352.343 2742866.565 ADENOSINE 2',3'-CYCLIC PHOSPHATE 1993947.257 1453039.222 1053486.644 1768733.546 2239557.567 2280731.008 1893681.944 1822147.47 1484288.45 1881534.366 1720134.558 1595804.525 1494872.002 1585295.983 1213303.947 1411634.177 1280824.466 1264738.162 1106660.969 1639488.156 1598015.271 1117427.238 1347418.691 1598666.416 1372884.938 1876630.082 1718288.658 1514045.116 2106797.945 1857827.835 1557307.096 ADENOSINE DIPHOSPHATE RIBOSE_NF 5744426.508 5287974.665 3741707.391 1390227.205 100000 91729.27156 100000 3265689.171 3111787.569 8608959.565 8547870.653 2547817.608 4306548.34 1704590.249 540797.1394 131549.2925 5599448.484 96522.39941 105173.8272 2950838.363 547848.0084 322411.7046 100000 138017.8454 146308.1404 12937027.46 6761272.343 2292298.379 913593.7786 178344.808 451269.385 ADP / dGDP 135609582.1 94702954.64 49228753.2 83573155.52 95078853.53 99068180.03 101807247.9 134674668.2 124270204.1 116669100.9 102493427.5 145003761.3 160062127.6 134927584.9 111432857.8 90838314.58 140308992.1 83496871.92 78526193.63 153122368.3 135055901.5 124034109.9 132801585.2 146109610.4 125349706.1 160974348.8 157361311.6 147308025.7 179690589 187562313.7 158661065.1 AICAR 441777.7363 363333.9303 321516.5998 293994.614 377194.8365 361590.2723 333784.053 399425.0076 294121.4991 420382.0563 287728.0689 297284.4423 236522.3578 193439.8211 181089.473 249985.7281 255458.8291 173739.9271 162623.1453 258854.3174 137268.4449 98735.72173 167642.9468 109689.2749 63640.43379 351514.7527 248714.1462 229391.2993 289205.8997 178113.3172 178709.4595 ALANINE / SARCOSINE 498973835.6 465131342 396570763.2 503057506.1 515044858 511967699.3 463462260.6 425551769.1 384944626.8 453845669.1 427847706.5 354269050.7 351181082 331340798.6 261232884.8 307899546.4 304110133.3 271594654.7 225880219.4 428615634.2 393314918.5 315779593.9 415042041.5 369305330.4 312643600.5 419542741.5 372810871.2 296202832.7 517340203 449084838.8 366180830.1 ALPHA-HYDROXYISOBUTYRATE 1020345.175 909559.6179 679673.203 1105536.139 1522566.347 1421320.63 1226224.047 1396527.928 1348330.937 1596268.126 1653743.123 1123645.559 1212068.451 1100944.304 1049541.225 1029869.912 1095374.757 1088948.973 1122423.001 1639765.375 1476016.222 1405389.873 1534612.487 1469906.224 1330172.715 1576390.404 1503208.857 1260491.518 1490452.597 1573108.768 1385582.544 ALPHA-KETOGLUTARIC ACID 166679999 120618236.6 89591599.07 144627267 218542239.3 205794506.1 180413790.7 152794462.6 145566524 145622375.9 149595143 104499559.9 116643782.2 80992646.44 84026295.58 92973736.59 77767630.7 93395448.21 87733937.86 176333362.8 170269721.1 131576525.6 157403232.4 158143929.1 127417491.5 76870754.96 103985475.4 99890084.98 144715116.1 148910727 114195382.2 AMINOADIPATE 88747238.61 19013353.83 28593008.32 11990051.34 113425089.5 21351797.74 8652185.241 55842911.75 15006622.04 8303981.717 4621091.817 82502721.37 20177634.19 7988676.18 3531116.261 38819802.41 11662984.61 5424458.9 1900801.583 103685746.4 9348666.119 4503770.433 13567895.46 2724707.742 770479.462 86546784.94 8389697.176 2998391.52 5645134.676 694377.5339 305357.2702 AMP / dGMP 42259975.89 46545581.55 28034391.48 27269900.75 10310344.84 12096275.81 13299023.15 36699680.64 40657530.56 39738216.1 49239640.02 38504471.12 38420568.23 41519759.32 37789194.79 26096482.21 31473762.84 18184284.51 17759928.13 32971638.81 28157083.45 31412114.53 24894204 31832712.01 29646469.53 37204949.25 36140489.1 36007138.28 42155577.23 45319719.59 38226032.51 ARGININE 799864918.3 298441172.9 491324704.4 342777031.8 1031026633 452767260.3 920990775.1 523174294.2 203322803.4 558734982.3 234332910.7 587641070.9 265276759.2 155727637.7 93906405.22 507075857.9 248967759.5 144356811 110560997.5 669664821.9 174401378.6 103623025.8 659748609 185455598.1 104968359.6 642701174.8 174305814.7 101409368.7 732478298.4 188333689 118439784 ARGININOSUCCINIC ACID 20161762.62 16578218.68 13616612.59 17568434.03 21773980.46 19332014.22 19825359.95 15509204.53 14745161.35 16548259.32 15388783.16 13139102.99 11337692.49 9632165.148 6835621.857 11242152.12 10308322.82 8240734.227 6281067.645 14773813.46 10618763.65 8672087.462 14184378.14 10501416.35 7674115.767 15305032.91 10546555.93 8053270.703 17033125.37 11123471.72 8633125.165 ASPARAGINE 58140512.71 52923889.93 54433835.71 73382167.51 92335042.31 95935882.7 72487751.44 48272425.73 39664251.98 55977883.81 47815669.32 54131195.24 53827679.53 57225800.33 69761624.08 50782347.83 49239482.93 51553071.83 61037269.51 55851045.07 61278197.82 75735801.47 68289509.8 70687227.93 84384299.11 54025043.57 53190136.17 72918168.57 74522826.52 66153872.79 86009537.94 ASPARTATE 403768386.8 334753439.9 236529045 346273272 412691282.2 408803902.8 374323833.6 308297260.2 218513005.4 309935516.4 220242154 384441969.3 356657344.3 346636621.4 316290174.2 361658015.5 352676108.5 316485575 290595836.6 345909912.9 340382283.2 315364527.5 350835783.5 337026310.7 318266472.6 367716320.8 333935511.4 325839066.1 400981380.9 348842157.8 345745589.3 ATP / dGTP 872595405.6 657113521.6 487216084.8 787362214.6 1142027174 928637170.1 894578240.4 659667838.2 613057225.8 712409110.3 745033412 730944330.7 712624577.8 618324740.6 539087811.5 623898807 558571015.8 660199711.4 573592207.1 853723660.2 842582497 658746597.6 856839542.1 783273795.7 645202386.4 607879222 745153653.8 638763947.5 790426911.5 928890477.2 752171788.4 BETA-ALANINE 98995974.37 74859115.31 72448431.11 87616026.05 124050719.7 102323989.9 117244342.8 188972697 120591086.9 210079569.8 147827247.3 73568023.86 64496300.45 55704692.12 42959153.04 67221921.39 54837526.72 47840666.6 34787362.63 102498083.3 75460308.37 52359508.74 101543472.7 70245199.08 53951453.33 101842657.8 74712885.33 55288363.66 124185924.7 88103410.92 67596708.44 BETA-GLYCEROPHOSPHATE 5414259.667 5713056.669 4353845.419 6852075.921 5001402.189 5691664.723 4714228.625 5365935.981 9496439.865 4736394.906 8185624.294 8702270.308 11667210.95 14223723.26 29395302.35 9327984.32 13209842.72 15300782.76 29681515.28 5288983.95 8520118.976 22428768.4 5764133.228 10011299.39 22326442.18 5096665.445 8748506.531 22055147.51 4936804.951 7679568.934 20968559.44 BETA-HYDROXY(ISO)BUTYRATE 8353478.93 5945661.633 5091772.539 7734597.552 9984228.956 9229601.2 8991643.22 8283990.563 6909221.718 10154380.44 8759155.479 6020757.264 6015207.234 5634112.943 4495861.654 5250371.613 5155287.734 4573917.142 4027492.802 8062061.873 7019097.059 5638347.07 7970607.294 6633394.732 5305214.105 7626298.308 7218459.207 5388928.096 10086215.39 8631168.688 6787949.703 BETAINE 1602190.865 1257705.662 849397.4544 1346202.241 2076236.25 1212497.03 1769128.798 2796938.75 2178060.087 2376572.524 2348496.065 1866327.152 1483723.663 1173573.662 1486174.597 1678960.403 1534178.853 1275697.159 1429054.734 1870827.25 1730225.826 1680228.586 1884280.046 1873737.285 2109039.28 1683886.106 1456758.177 1752373.483 1617828.409 1783058.688 1691816.185 BUTYRYL-L-CARNITINE 797491690.7 563929445.6 392562802 588986916.8 1027877019 939243760.9 865464599.5 1401473492 927148246.3 1503288816 1074193648 526514746.1 512401393.8 473805313.2 427375492.1 425967432.9 426292769.8 361376681.6 346074594.5 665966535.9 584363776.7 568267652.7 634285175 546405212.4 510473334.5 717277885.8 668806668.5 644312677.8 846227023 705144986.6 689772924.9 CARNOSINE 5477544.925 4856941.236 4541804.806 5807603.525 7080991.806 6982693.52 6601425.324 12980218.73 9981773.632 15696333.07 12547534.35 5158510.243 4835828.662 4854581.123 5214058.776 5311362.92 4814346.677 4977664.86 5324706.629 4415374.162 4114543.878 4400513.09 4551806.52 4363666.741 4580122.591 5407892.96 5534812.009 5719103.111 6902288.245 6060665.095 6311087.723 CDP-ETHANOLAMINE 4240769.388 2379133.6 4145059.533 6195302.021 2962404.28 2336938.14 4410494.383 17233754.63 14636333.01 18498436.31 16440162.2 5550171.959 5090392.797 4969663.419 6496454.917 8496733.505 7769301.775 7065005.272 7684361.807 4146079.735 3512686.067 5236821.797 7195961.168 6273391.964 8196271.543 3282570.236 2797603.999 4284989.967 4776982.241 3809969.644 4924835.324 CIS-ACONITIC ACID 33672160.96 28258792.71 18569897.13 32062370.76 40034577.02 44032934.53 35553777.59 32066540.58 29045204.84 33996214.24 33014707.4 26487405.67 32231348.06 28897663.21 28287842.32 23133600.04 28439447.05 26030660.15 26427582.57 30644057.12 34266270.38 33370915.52 33704544.74 31946279.23 28910291.77 31454078.25 38480795.42 35093417.09 37703710.82 44918076.2 38291056.96 CITICOLINE 4850082.201 4200601.198 4108079.439 7237536.298 5213432.261 5315612.508 6249877.941 8565297.295 6173115.979 8940760.028 7403541.962 5997695.737 6787416.267 6555895.219 6967641.395 7327836.33 8458016.871 7920183.48 8639948.326 4959765.201 5482232.281 6062619.164 6106227.533 7254265.78 8111985.493 4194900.162 4349078.051 4966138.995 4826740.909 4748762.766 5768012.856 COENZYME A 5052718.452 4010202.126 2512973.77 3670354.497 4817949.483 3978521.136 4084652.131 2478037.307 2000737.888 3977134.585 3605266.309 3760079.671 3251839.503 2843793.131 2183502.773 3046715.049 3315835.643 2448186.473 1882686.366 6407964.624 4146975.962 3251535.53 4798595.745 3701866.4 2805383.507 5595442.988 4869312.051 2706460.332 5384988.117 4834074.442 3370122.028 CREATINE 5324782116 4328747230 4923411535 5467410722 7192179476 6536069928 6865795928 8201289147 6315348416 8724367346 7004433688 4514790244 3198361333 3019834258 2870992595 4745806368 3007747633 3701467296 3473131965 5220271486 4066245800 3133746748 5732706525 4453332015 3714147300 5177647206 3666827717 3263554630 5875279857 4123667844 3799870641 CREATININE 4217977.712 11410769.01 10091259.01 4735735.765 4670232.311 3649056.655 4226223.439 8532362.889 5985529.799 14176366.47 7383637.423 2187988.711 1612481.002 1527458.585 1197588.552 1643987.247 1521292.192 1221182.183 1167396.032 2967844.052 1856929.511 1127944.563 2536835.92 1857520.963 1224215.452 10525688.25 3781035.866 1334424.799 2331624.667 2251355.08 1592934.743 CYCLIC AMP 2293961.147 1669649.087 1271140.199 2005154.84 2830576.946 2959898.143 2323311.363 2486954.506 1966246.639 2290009.478 2246287.153 1883103.889 1905783.294 2183111.451 1589681.152 1781994.586 1655533.859 1544043.359 1360817.177 2143597.319 1940741.006 1494761.291 1616325.643 2040856.452 1576440.697 2473573.615 2130132.442 1852498.041 2698577.392 2298139.932 2050903.349 CYS-GLY 1807747.312 1274789.499 756531.9332 1593699.13 1996961.088 2202680.971 1776511.793 1425910.736 1318355.31 1488819.932 1425212.285 1373253.63 1495663.425 1171587.194 1232500.646 1240566.839 1134081.288 1206102.139 1109326.193 1774726.031 1745087.489 1508330.222 1882978.521 1699254.992 1442526.102 1458387.225 1541439.881 1539272.378 2044835.589 1952124.133 1709122.575 CYSTATHIONINE 322767408.9 299095275.1 233559311.6 376210168.9 360310048.9 407557349.9 366362849.9 222009279.5 207278886.2 284138915.4 279883820.3 242690486.4 265868418.5 279275470.4 265219594.5 206124943.2 226320596.1 240302582.9 238852696.3 308492524.6 384908228.9 351645527.4 323910784.3 370768717.9 349347628.1 274616245.2 344739400.6 318352846.5 388911637.2 424770779.4 397580997.7 CYSTEATE 855149.7861 1123473.748 802156.5936 1582589.247 955329.3037 1401199.744 970595.9977 785109.3649 1285886.79 942901.8668 1273322.277 1357262.225 1320291.34 1360116.732 1699070.583 1496749.292 1445648.529 1640213.327 2209841.909 1172654.321 1345156.824 1747059.22 1620804.174 1702602.927 2216863.63 1222980.594 1317523.545 1661075.167 1389862.246 1340801.68 1791112.829 CYTIDINE 3361685.428 3245642.262 2609066.973 4290798.988 4563135.778 4774459.409 3688782.96 2048197.267 2761773.457 2462641.782 3949025.565 2016561.118 2103964.468 2454096.458 2207013.715 2307346.236 1881542.897 1998723.683 2378895.929 3036589.048 2219055.553 1669930.437 2493488.405 2566950.733 1868255.821 2485400.28 1969576.259 1966945.114 3561042.324 2842156.021 2586342.62 CYTIDINE DIPHOSPHATE 17135639.3 16739001.09 14223190.86 16208873.14 13493817.04 13877389.87 13998567.52 15290486.94 11719871.6 15307413.27 11873534.58 15412031.33 11299223.06 11104927.24 8601865.221 13538247.65 10050431.28 11288804.08 9030083.783 18437402.02 15944078.06 12875685.64 17524596.42 16778739.06 12791946.76 20254571.78 15754475.29 12315060.38 20633516.94 20522952 14887708.81 CYTIDINE MONOPHOSPHATE 7705650.542 7015563.62 4309233.133 3513084.711 2609860.252 2539360.77 2764980.614 5257465.811 4466548.596 6958381.891 5562496.059 4012303.93 4013925.483 3791198.232 3629357.737 3569968.999 4040845.423 2891389.363 3107895.116 3593494.309 3085587.588 4194631.801 3562681.861 3634335.383 3979619.307 5440787.309 3535181.201 3846189.199 4535847.582 4257589.02 4692579.473 CYTIDINE TRIPHOSPHATE 116993898.7 81348734.31 60279889.86 98581675.27 163805266.7 130263102.8 129498027.5 90222572.99 73844941.01 96505694.57 89539724.34 98926691.5 90657258.75 77716840.03 56923917.15 84268584.84 69767845.99 79025907.67 59703675.25 114150217.2 98372216.93 63271641.68 115767710.9 94472805.97 63667434 88054618.24 98752759.56 68214258.52 114311176.2 117879999 79103914.84 CYTOSINE_iso1 6253886.87 4832829.873 4299217.185 6222137.532 8565102.513 7768201.385 7842303.383 5123454.388 4658638.867 6091501.376 6261714.762 4232322.38 3683110.428 3891539.155 3180670.854 4071817.644 3637489.207 3154753.802 3176654.884 6170172.948 4650402.151 3181142.124 5588620.532 4728770.052 3183395.272 5824206.865 4596838.108 3389706.978 8153458.144 6143037 4633243.571 DEOXYADENOSINE 491038.6824 331933.5806 232314.7371 387019.7675 695197.8027 756392.8617 601068.2251 390543.514 267747.3452 409981.9477 334449.6074 304306.5578 319947.156 373528.4132 212116.191 322188.6496 275865.6613 254420.5253 210402.1875 426505.1991 411164.0189 266992.7634 439485.0752 395021.6874 259433.3671 483807.8177 358660.3527 281937.0357 604536.3727 530332.6051 376603.8815 DEOXYADENOSINE TRIPHOSPHATE 3385951.167 2169499.865 1319373.299 2812502.046 4684506.318 3601635.068 4066280.809 2663042.629 2167255.038 3149757.197 2745268.686 3080017.154 3118566.544 2515817.149 2041480.908 2761760.17 2496989.564 2541088.568 1978482.232 3449401.84 3019615.889 2000664.225 3885515.105 2991875.94 2106346.694 2430232.886 3023768.625 2212142.837 3786025.371 3578771.495 2583325.97 DEOXYCARNITINE 138727154.8 90631920.1 92801454.73 98151198.63 163974876.5 132265023 136104296.7 316816320.4 198973914.8 315898974.6 217883058 94534780.22 75115624.85 69988094.36 67319935.31 82555289.48 64943697.67 57875176.03 60579697.45 104702817.4 78454683.01 77362727.69 103024621 73143564.67 70562912.45 104530920.1 83477372.39 82068099.71 127738428.2 90583048.42 86644066.31 DEOXYCYTIDINE 5092209.643 4073026.268 3226784.083 4968866.741 6693442.14 6374363.011 6431295.432 5250334.456 5192585.121 5777487.56 6341881.763 3613804.794 3126131.028 3351587.846 2806047.467 3366617.386 2933922.356 2838747.475 2706853.125 4998149.133 3961628.857 2824118.512 4683527.699 3717952.219 2677795.139 4656834.325 3971710.883 2846365.682 6591905.436 5242067.895 3972784.887 DEOXYCYTIDINE DIPHOSPHATE 371856.9891 255692.4439 154752.5343 451312.7835 772408.1882 697349.2675 764993.8775 461217.1742 346476.2072 410546.4106 311646.3398 400921.5861 338544.5264 261142.8375 213453.3594 362626.3261 295644.7192 297906.5265 214452.3408 524868.0866 529446.5843 341886.8981 587127.8556 731917.6932 359939.7421 321325.521 351970.4546 328120.6267 614096.1225 594519.0569 366618.5326 DEOXYCYTIDINE MONOPHOSPHATE 3516237.203 3538907.992 3725789.513 2436111.758 1739624.242 1605266.482 1647402.284 1272138.091 1091053.233 2478328.689 1824394.627 1420559.93 1159613.421 1175942.466 947116.3183 1182376.844 1178441.298 1138989.207 1031055.686 2158883.473 1458554.553 1110094.531 1359422.445 1414990.523 1212018.455 3173188.713 1874698.982 1158936.256 1643558.396 1377270.39 1287053.531 DEOXYCYTIDINE TRIPHOSPHATE 1713790.218 924617.0452 460480.1936 1771579.318 3444656.007 2824395.567 3030409.997 2227252.343 1852187.054 2157779.147 1949598.278 2745949.859 2592971.246 2063526.737 1478885.042 2261708.901 2064232.523 2061842.552 1562748.876 2186129.602 2308743.16 1710776.012 2916856.33 2181262.882 1553486.985 1148296.954 1988017.178 1749717.573 2722225.58 2858050.762 1965168.995 DEOXYGUANOSINE 622921.3509 536292.2984 505933.292 908911.9275 671808.8154 820874.7959 766735.4305 457789.1028 763414.3775 633075.1301 1024007.902 521203.6997 491636.3946 550026.5426 634122.2573 601403.8761 464032.9755 543261.6434 756636.898 609846.6242 572462.8178 629468.3016 712516.421 732756.0391 787853.9095 482418.881 492853.2011 606176.8795 961670.8962 849031.2834 928049.2971 DEOXYURIDINE MONOPHOSPHATE 226290.1518 345459.855 1275245.13 479889.3837 531221.5281 689470.5468 613126.1418 205657.2208 213463.7085 247539.9393 264397.2379 223427.5943 224311.3117 231892.5345 234240.168 273055.1437 164915.602 271838.9062 241072.386 412695.2276 354721.8347 286221.8456 322281.5986 347951.2787 308897.627 614966.8819 310485.3606 237150.3243 431583.062 439360.6668 309385.7257 D-GLUCOSE 38103043.93 33261100.28 28286829.79 38387939.23 46274471.31 49285232.36 41567557.87 41615047.28 36146246.28 42540340.3 39367134.18 33500542.59 44410867.52 32127156.06 41295948.62 30309951.32 34304428.79 34537701.16 45475761.97 46140913.78 50522120.47 55249543.81 41112696.9 43646434.68 48134435.45 37078315.8 43369172.72 50776911.25 38252651.77 44905511.01 50214157.85 DIETHANOLAMINE 5606900.053 3395618.678 3631844.802 2611712.645 2853855.668 3159983.29 2426491.013 4698082.439 5124240.694 5387809.066 5432087.498 5849762.086 7701330.559 5032276.582 4856980.015 6081847.494 5756176.741 5423007.353 4723400.976 7769288.102 5808894.652 5769939.304 7055740.341 6314429.988 6453821.799 4601348.417 4720014.08 4237107.398 4311131.442 4392352.358 4341217.715 DIHYDROBIOPTERIN 7088643.734 5328220.441 4156322.543 5183151.179 7595162.21 7108758.193 7382335.044 5926149.66 5328263.057 9050818.259 8165529.926 4226478.975 5069713.809 4830300.173 4309938.95 3468713.446 4877096.327 2975199.959 2619876.3 5735806.108 3966353.79 4104229.621 4455052.71 3600402.059 2816232.277 7905546.261 8123670.665 5200034.85 7713576.732 6861251.231 6047856.961 DIHYDROOROTATE 5826183.038 4338449.357 3480218.608 4597705.843 6366007.474 6142358.154 5534834.143 7392717.832 4408197.544 8168407.365 6972522.325 2269912.199 2274080.801 1880575.91 905107.1538 1295899.102 1961965.14 928209.5685 634434.3381 2290240.764 2260462.618 620423.9143 934293.3762 1854052.19 1219774.545 3951380.103 3265458 1650359.05 3317495.054 1324514.667 1411473.9 DIHYDROXYACETONE PHOSPHATE 18770487.82 7396202.376 5097973.117 14039043.55 33611333.02 36745224.4 36761314.3 11199907.12 12651791.37 10063663.85 14547410.44 18155881.63 13874030.88 18822073.86 20802648.09 19870856.1 11131316.92 22701837.74 21807168.96 47434834.81 41970286.75 76485274.16 99807907.92 37447057.48 35135336.47 18743643.47 32287410.69 35659754.5 48026590.83 68534959.95 48346599.91 D-RIBOSE 5-PHOSPHATE 28918450.83 14898427.49 13874670.23 21086615.16 37892580.15 36152802.56 36369302.15 22892809.52 20973159.78 25709822.49 25841768.71 22238852.26 18681993.39 17127341.03 15173837.97 21536335.61 14541502.81 20167055.75 17743609.65 42367949.83 35945708.86 29304064.25 43484783.52 36656387.19 27988530.31 28240652.33 30639143.54 22799053.41 39833256.34 37948177.19 27357402.59 DTDP-D-GLUCOSE 617303.0132 429136.748 293863.102 447155.3094 818869.2335 770931.5274 669016.1578 528906.9542 454868.7549 640239.8858 525699.282 621174.1 530004.5367 432416.9116 411598.1515 519737.97 482317.3337 416332.4515 371086.4585 678807.6481 559705.0332 457942.7583 726708.6448 620177.2876 462616.1905 633926.1773 575877.4637 421330.5632 788472.2206 597789.6135 482303.6638 ETHYL 3-UREIDOPROPIONATE 2645589.121 1367677.725 689445.8046 2281179.714 3553418.498 4227878.534 3397106.836 2154875.065 1839799.536 1971805.464 2152343.715 1364764.449 1013755.126 1460473.252 1151256.61 1373224.614 1091700.796 1257091.833 1057437.933 1236869.553 2196754.411 1354783.394 1561364.232 2314547.601 2255120.505 1668962.722 1984738.953 1862163.6 2735127.969 2259541.455 2159142.159 FRUCTOSE 6-PHOSPHATE 69681601.9 57054419.67 37749535.51 57544310.83 90748331.58 85714355.02 76540264.34 70383620.66 52414742.72 76065615.33 61850196.69 65063637.51 62217468.03 62128556.03 61733668 55026455.23 52354468.28 53328446.63 54215612.04 77670984.28 75759142.01 70532800.31 75074652.59 73254496.96 66304535.55 75255264.07 79917385.5 76884048.34 90208059.49 86499286.3 82970911.15 FRUCTOSE BISPHOSPHATE 240002669 184122070.1 100767091.1 193500188.4 275229631.9 250408140.7 245817570.5 142420271.9 159497818.4 193579716.4 217661635.4 203188154.1 153289771.8 177410135 154315093 176459029.4 126449829.8 184757573 152306524.7 277682013.5 275804579.6 143188572.9 204846025.5 304866198.4 222887690.8 243299184.7 283457202.4 195668739.7 331627687 314806461.9 226025762 FUMARATE 61784137.62 38316609 31593916.66 48817189.63 70585978.74 66443537.41 62952777.78 48982133.25 43814759.18 53074657.26 51115025.32 48092587.55 42298800.48 42129232.06 31255692.48 42824145.54 35981812.53 34468223.82 28025271.8 55778580.66 49705840.47 35968518.63 53267517.04 47882597.13 33183993.87 49739948.51 49438260.08 34009886.08 64262632.99 56561293.69 40123667.31 GALACTITOL 87007166.15 83498366.71 68774889.43 89546167.71 87917225.65 94506945.27 67253040.9 106986365.7 108787416.5 83328636.26 105814510.6 80976690.65 74950392.99 79243925.36 93560099.4 74674986.9 44396567.21 80629123.97 84817458.78 93122495.78 95503039.83 104788815.4 95898022.35 104929618.1 96098014.92 68181890.68 60264027.32 76013948.13 91091691.88 113079927.3 88005515.84 GAMMA-AMINOBUTYRATE 293545480.9 170442774.5 196863866.3 187672301.2 303472114.4 205517636.2 270952414.4 309345440.2 198079846 319227524.9 225796375.7 178009598.5 109280304.8 97563373.9 89174874.22 157326577.5 96169799.08 85471211.96 79419271.67 240120682.3 125124286.4 110097730.2 226365597.6 119800444.7 106721625.7 221955477.9 119241404.9 104123455.5 256651349.8 130325755.1 115218936.5 GDP-MANNOSE 7801800.337 5698547.344 4470535.782 7042137.006 8845606.373 7587352.079 6565315.607 7635172.928 7066669.196 7818068.811 7870316.256 6209499.71 6423275.862 5784160.98 5314348.545 4924410.457 5454827.349 4904082.863 4506535.718 7279504.08 7131677.907 6567626.181 6476894.095 6366806.069 6232952.569 6354737.773 7104192.671 7124425.736 8420846.799 8218667.109 7771141.083 GLUCOSAMINE 6-PHOSPHATE 408067.9437 356675.9415 279956.3834 401896.6735 482435.9565 595195.0054 479079.4936 449211.0081 389429.2484 485254.5995 409310.5248 442791.5674 407178.3438 486920.0553 337966.7917 357246.379 428219.689 371723.3224 323828.5095 397624.7154 360937.9337 416221.4751 417720.9602 449866.551 384953.1952 483446.199 419599.6567 396547.9857 548561.94 497554.3918 402955.0875 GLUCOSE 6-PHOSPHATE 51286490.29 37768924.05 29488979.86 41503536.81 52299220.73 53062436.79 47822607.95 47917435.48 43982706.25 51113341.31 48942348.36 41524775.72 38541266.58 39197539.7 43352908.13 37718748.08 34283683.48 35741439.29 38491174.32 45495015.71 44089115.17 46056352.35 44454767.14 42424885.32 42969670.91 43363770.25 45025761.11 48422827.02 53310163.18 49827039.61 53865903.03 GLUCURONATE 1676139.211 1176239.718 1142817.935 1786654.952 2067607.587 2115767.066 1769951.521 1530139.473 1461384.674 1682135.47 1875145.659 1357245.154 1459787.073 1441860.821 1397366.805 1347456.482 1282391.716 1450345.361 1542281.875 1689196.389 1756923.918 1658362.587 1735208.977 1805889.466 1629168.887 1480638.494 1737340.957 1523789.37 1831752.013 1919790.966 1701011.132 GLUTAMATE 3100251585 2935384541 2198219510 3035226787 3394344512 3627040903 3080413122 2268962536 2525027229 2354669432 2665159486 2809689880 3032725075 3148923356 3004867893 2637238165 2813792672 2898037739 2789601300 3144326879 3408245462 3371918621 3035152047 3384865187 3296444298 3139147267 3494434294 3353713322 3406884287 3563959664 3486526204 GLUTAMINE 7789236629 6913870106 5474570545 7462503677 8104333612 8856363807 7764978580 6780217045 6596078551 6971221643 6737886478 6882261249 7387914852 7491277049 7362252807 6432420573 6829960193 6823111814 6992016339 7386807603 7952723414 7915222509 7275839936 7662673601 7674742189 7148940668 7969435831 7949258425 7503232411 8011806547 7979428678 GLUTATHIONE OXIDIZED 98697184.34 84821368.88 63576971.73 96352255.48 73933862.71 71855087.8 67428351.68 77917922.65 70012533.85 89387088.98 85191218.66 82448888.72 81995118.34 71983853.12 72885755.35 71601587.56 80178873.39 76567494.99 78570388.46 91942493.28 71861941.89 64798920.53 65238769.86 74997277.44 78999420.76 84638350.29 70882863.09 53335153.84 52887155.03 56520952.54 59061663.09 GLUTATHIONE REDUCED 3721748006 2922971040 2107395731 3147796425 4268889939 4229105346 3804909004 3243253546 3211483127 3177485691 3216253202 3603037882 3478896952 3366045346 3283299314 3340591376 2993003437 3204734364 2866437967 4162716441 3979126334 3612145868 4153757912 3997871525 3514479960 3381065329 3720632975 3687070234 4567843120 4422185191 3867442321 GLYCERALDEHYDE 3-PHOSPHATE 8989628.536 6224783.308 4211425.197 7171085.347 12370435.72 11855639.15 11734959.34 6519783.067 7175445.852 8104367.644 9426034.644 5782697.614 4833343.295 5166898.445 3637572.821 5549632.679 4378511.36 4709468.155 3476054.747 9944870.508 8439066.47 7116566.378 12770966.6 8110666.468 5041524.319 8415656.063 8028222.409 5086466.887 12719130.69 11359134.67 6642287.283 GLYCEROL 3-PHOSPHATE 22883257.74 18148045.28 16643190.98 26966179.4 33481958.37 31911771.34 27947787.32 23503451.51 29031561.77 24116911.32 30361848.14 19198524.27 24798759.81 19659610.61 22577863.01 18103602.94 21574124 19009543.12 22323041.78 21548381.95 22026052.41 24534151.49 22932622.97 22317774.05 23212332.45 19089392.61 22753805.47 26680997.95 23728907.4 25754500.94 29751987.13 GLYCEROPHOSPHOCHOLINE 879886040.6 1005904177 613062364.3 1099720951 655502586.8 895964094.6 651229655.3 612203372.9 1225523845 534409133.8 1028821490 1174175510 1927699698 2340253269 4306825081 1169062852 2210003117 2174629285 3957398136 737472548.9 1431187357 3630069486 717619623.3 1502726931 3358576247 791367718.5 1621841801 3798096958 734230537.4 1386352274 3430831835 GLYCINE 278285160.4 274761654.7 192701952.9 290674714.5 319290587 353729602.7 279092646.9 239327299.9 236647162.4 261440968.5 269852445.1 291716496.5 285302445.1 319526870.7 288837234.9 235908699.6 254456442.1 256546063.8 263171594 312442522.6 358019134.2 351326969 314877466.8 344085246.1 339651141.5 303770143.6 338656281.1 336018529.9 346556496.2 366375876.1 362873127.6 GLYCOCHENODEOXYCHOLATE 418633.0175 341512.7902 236093.4383 298412.2099 599169.4081 593502.5423 524838.4795 503609.9746 372415.3977 481752.5775 355243.6819 599030.4993 681183.8849 610332.5417 580998.0676 586743.2373 632161.4025 453983.5266 600424.0467 472132.1266 482269.7445 465213.8806 502846.0816 489690.6591 455124.8686 494167.7257 458739.6618 476945.9016 452951.1382 446174.0949 436853.1309 GUANIDINOACETATE 1609573.637 465974.1436 1067707.664 577636.3125 1414738.395 434691.2922 1104714.489 1084250.534 457274.0292 1135127.465 458702.835 1284431.503 566753.0858 352067.3484 169008.5319 1193781.014 425603.2965 260303.8778 183183.2747 1229384.599 170814.2942 84482.81876 919068.5133 220261.8858 100000 1098588.486 158019.7728 98163.79178 1177078.272 226674.8814 59029.28158 GUANOSINE 901887.9327 982668.3897 997405.8653 1676598.49 1119803.82 1230665.659 1272668.872 722398.1888 1151993.781 966253.0154 1695014.612 692593.9858 786907.399 919947.17 979000.8507 939099.2009 751554.3683 990812.9607 1231697.496 868279.479 833670.3155 872430.2226 1014650.93 1154779.803 1144008.334 712144.8353 856864.0861 911160.3264 1262829.75 1209279.7 1501337.412 GUANOSINE DIPHOSPHATE 22700666.9 16351806.1 8048541.494 12119651.91 12691965.48 12996479.39 13253866.11 20530862.7 17149843.13 20276892.36 19331076.67 17705548.23 15815737.02 16521951.3 14661335.19 11671174.84 13519502.52 11556089.53 11460030.89 17266959.11 16380089.31 16704161.44 16750143.98 17927607.69 16450961.1 17297566.64 17830583.98 18058922.34 21998646.49 23259895.77 21438117.54 GUANOSINE MONOPHOSPHATE 12382427.14 3156712.769 1186084.343 1431015.115 989643.0091 1152607.195 1311949.221 9305354.544 6934551.528 9852262.086 8903198.119 3026656.379 6528820.847 3174551.171 2665434.555 1866283.824 4991454.119 1457248.092 1777780.391 2333206.631 2221458.753 2745463.71 2204744.401 2518593.041 2585301.413 2834959.537 2518380.681 2937791.278 3382786.2 3551599.922 3339329.333 GUANOSINE TRIPHOSPHATE 94236122.25 69917459.94 49220208.8 93620771.1 152917356.7 123713709.6 120768364.3 79496524.93 70017349.61 81557282.64 87326786.47 82822171.73 81221266.63 70859369.5 64757344.97 75055264.73 59082170.3 80101987.73 73507927.33 109454401.8 105129824.8 81750919.18 113693115.3 106425934.7 87775407.65 76298331.94 99744864.43 88902728.59 108978360.4 131096426.4 107737732.9 HYPOTAURINE 66705535.11 56082901.83 51928642.41 62921496.29 80092901.12 70504021.72 72193552.28 131531065.5 102289028.3 143376033.3 116340760.1 53090702.71 48874098.89 46289520.78 41543720.01 46288730.68 41373529.33 37994904.24 35452563.51 64428260.82 54039685.79 51189694.67 63663113.64 54438855.25 49804008.52 60388950.98 54500611.83 52163162.61 70397653.43 58535759.71 54684295.18 HYPOXANTHINE 538768.3749 417516.8353 493053.1378 761224.4589 823541.3221 1313056.036 5368519.356 492189.8461 519551.4225 593999.8134 713560.1511 586097.3268 817798.1752 1019760.041 688839.2562 852023.5187 631043.3716 648623.4258 921266.1327 817971.8157 720040.0593 845616.0827 1576338.409 1107470.933 1001296.718 604739.6542 552679.4203 537233.8164 844067.0084 801273.5961 832294.9847 INDOLE-3-LACTIC ACID 224701.5038 157897.259 123855.65 201072.2546 282660.5745 253009.1481 250462.5191 375591.9475 387585.9477 349271.5904 405419.8735 196533.5953 281204.4771 197269.3357 207706.6991 172439.4755 252352.1966 157370.8799 187824.8633 257508.469 230199.1565 219403.0657 218573.3413 191291.3343 186622.769 269232.4378 248855.6479 239654.6837 251724.8761 235581.5365 238594.9031 INOSINE 1211171.558 966923.2169 1179100.666 1702760.289 1846042.49 3056472.702 13027929.75 1170273.165 1290827.965 1364927.229 1611231.866 1403000.411 1903290.733 2408101.55 1731742.683 2060828.025 1278618.344 1446660.56 2140541.177 1873501.013 1787944.517 2066023.629 4288363.17 2446458.847 2392521.999 1546391.676 1406956.853 1301947.685 2065290.632 1996680.339 1976094.618 INOSINE MONOPHOSPHATE 1393775.081 1283955.349 715691.5929 1373704.677 1968749.578 1846959.759 1489590.422 1180009.225 1161032.893 1314394.686 1421193.276 1422451.509 1889209.569 1902086.5 1288587.672 1546505.12 1378037.449 1271535.667 1433856.629 1539988.479 1576809.963 1073259.846 1359309.872 1503392.937 1211819.443 1524854.479 1693012.099 1081170.42 1505440.619 1600785.046 1142892.036 ISOPENTENYL PYROPHOSPHATE 455535.1785 340108.8343 190929.9312 337954.9369 455060.4155 402704.9739 434839.7141 397670.704 274742.7898 382303.4029 339102.8449 467109.0442 416941.3602 329978.4953 359873.3239 399743.8825 294062.232 404819.1682 369428.556 450011.6397 431206.006 346366.1157 437108.9195 457045.7322 362413.0212 352891.7529 417763.9684 375831.3656 448030.5158 524400.5823 413903.7476 KYNURENINE 1419334.388 852431.2193 644252.9298 1364222.038 1972340.144 2124331.719 1775375.532 2667010.584 2316865.603 2554803.634 2433060.707 3780521.737 4284225.502 4245127.604 3776954.558 3504678.062 3464646.181 3178876.987 3326910.93 5361923.918 5579960.298 5629112.338 5728221.66 5528462.821 5156662.592 3693164.953 4638698.285 6050347.193 8251488.61 7335861.612 6833527.131 LACTATE 2752773468 2020064204 1710513245 2520747580 3471891556 3138197839 3181894860 2274969434 2450232496 2900262975 3358507820 1820799293 1632378975 1772831380 1398395937 1649038417 1510256400 1536649633 1322839346 2887348607 2342487585 1751024417 2936392954 2417592064 1748607091 2551962417 2375696757 1727345098 3699089969 3145620291 2274600315 L-CARNITINE 1366858040 1016112444 825297824.3 1042742596 1511674762 1363674738 1224105980 3460689099 2204139625 3374232872 2372806422 909518109.5 859889020.7 825294480.3 862959975.1 757356481.4 733145453 667168617.3 735146028.4 1017886541 896506697.6 994839745 947786322.4 852952415 912026012.3 1084518556 1067814368 1152400227 1216674271 1084114421 1187078970 LYSINE 281761352.4 76531361.97 155762440.2 87657927.19 346382345.2 104393670.9 294554399.8 214888826.5 62588535.38 227225106.5 70892751.87 219614875.5 78141086.38 45026249.37 24210586.86 181628515.3 70916287.34 39979190.75 28130399.14 264822520.9 52407294.02 29164032.59 251887866 53489869.8 29056171.97 260732575.1 54760709.01 28283795.54 304331208.6 59712515.48 34426293.17 MALATE 958880573.5 774596369.4 625608416.3 820642973.8 1037219234 968409561.9 936110529.4 770725740.4 711360895.1 821457219.9 791878118.9 725960962.4 634555705.1 666761100.6 502893188.4 656382925.2 559519747.1 541421669 441848528.7 836635126.7 743508515.6 580210923.1 791266950 722323969.2 522226782.3 777992197.8 733314929.7 517997697.8 915611892.2 835981767.9 617842480.4 MALEATE 2030360.961 983596.7607 1019447.556 1678233.034 1379131.652 1456179.131 1257739.24 1232535.221 1356048.475 1546456.925 1463898.779 1332933.173 1335785.191 1480221.295 1390428.906 1162263.738 1360655.859 2843077.708 3360922.835 1928422.359 1970651.552 2318010.029 3096293.732 3228936.884 3262271.559 1818041.434 1494072.741 1208990.077 2359293.18 2833566.39 2620664.067 METHIONINE 524680908.9 456865675.5 287175525.3 464114640.2 620344018.6 660987833.5 516331958.9 412446282.7 414063437.6 420425812.2 435409564.7 449745861.7 476980947.5 487011347.3 467463369.4 391198565.2 425230662.1 408002749.5 415634556.1 501922832.9 541375060 535492615.5 475794297.4 518390897.2 490136250.4 506364159.8 565773868.8 545551874.2 543791688.2 571643238.9 568678110.7 METHYL GALACTOSIDE_NF 886544.2767 591787.8704 555120.249 762990.9149 454439.2891 654213.5363 611187.0355 554058.5882 419609.9351 568499.2198 695479.9146 524754.7551 503026.3432 486912.4345 484280.3118 441991.3565 500864.7656 378767.0944 495934.566 304342.9906 319095.4915 291810.6599 536691.0053 405094.4285 402865.9027 442507.0203 417749.4595 438546.3032 547390.1913 469438.028 499018.885 METHYLTHIOADENOSINE 374290130.6 235579916.5 166580952.9 319459939.7 442521997.7 479258517.2 368899819.8 242011941.6 194395034.8 230270940.2 199730755.2 141599901.3 153054721.6 141467742.1 113057327.9 124951336.3 135292704 108360473.6 100383550.7 301261155.9 347304162.5 288834115.9 297021750.6 415696483.7 314995854.4 329248060.4 285383613.3 267034620.9 314495283.4 316569137.7 296471534.4 N,N,N-TRIMETHYLLYSINE 22187506.74 34669992.48 14216049.65 48092155.96 26593332.51 54775104.29 25116870.23 19533999.61 26874509.92 21724455.76 33151956.14 15257066.45 31387851.24 40450185.45 61037026.38 14707804.07 30515087.29 39806896.83 63261763.59 18674396.93 49621633.66 75336559.92 20054756.5 56486715.31 82614147.45 17678333.88 49745532.02 76498091.87 23537441.65 61639780.47 94750534.68 N,N-DIMETHYLARGININE 16348432.49 18679195.3 10061317.57 23740670.06 20909777.7 29621351.31 18630833.53 21093330.49 16199514.56 23235038.13 19630184.52 10277706.81 16081118.82 22493035.27 39740152.93 9028783.067 14754503.12 20803672.99 38526738.39 14105665.78 27238138.71 46837937.91 14577547.56 29671748.67 48580519.55 12933734.67 27597468.96 49721877.91 17387970.93 33426124.12 60667599.46 N-ACETYLALANINE 402048487.3 207293330.8 124605390.1 242354399.9 341134811.9 345603423.3 306767093.2 493019376.6 371712953.8 385462820.6 371151909.3 772008782.8 957805822.5 799411625.1 624500799.3 477858816 655339979.4 386620042.3 372449530.8 571031561.2 358511110.4 614116911.6 561133222.8 329504247.1 283531687.3 654283617.5 746947158.9 868520689.5 806336342.7 795534094.7 701121672.2 N-ACETYLASPARTATE 915083578 880669254.2 576046794.7 890054823.3 1008769675 1156506587 905271190.1 820321662.6 891321655.6 826655463.7 912084494.4 720589074.2 794078591.4 825438151.4 813027625.9 640740310.5 704933818.4 764351339.4 734380067 768020169.7 924194351.1 875962515.8 778257172.8 902985110.4 829641181.4 797849733.6 969486559.3 902940193.3 866447707.7 1008697212 962904361.6 N-ACETYLCYSTEINE 1404690.17 1221370.328 855195.008 1674086.233 1897596.091 2055687.079 1985219.437 1206604.918 1675187.066 1574199.358 2035835.043 839884.2058 1003073.49 1103377.559 1459557.404 819510.7807 916848.5847 996597.9869 1279090.264 1295951.967 1549811.583 1723349.926 1424888.781 1761353.215 1814751.792 1075964.376 1538474.252 1904429.101 1832196.392 2039339.881 2147468.151 N-ACETYLGLUCOSAMINE / MANNOSAMINE / GALACTOSAMINE 4696829.094 3717457.392 2671022.558 4239930.262 5256900.459 5555976.374 4630605.622 4931685.24 4451511.889 5444112.644 4991872.383 3775391.192 3709183.824 3461688.553 3410689.547 3457374.216 3138525.802 3444949.848 3375437.707 4520561.725 4412494.323 4186081.33 4373849.806 4546849.488 3882818.958 4402724.705 4437477.172 3913351.132 4879921.309 4694662.201 4261634.244 N-ACETYLGLUTAMATE 77943156.74 90080992.16 65254986.01 92714764.88 80498906.12 101899069.8 75487516.65 68080080.68 91424595.21 73282436.82 101770323 46451241.07 58847248.41 69695715.68 75014814.16 40252006.51 52356770.1 61961735.09 65591928.65 62234875.95 85631160.6 88851907.91 60854177.63 86614729.92 83397678.76 62053792.8 95281786.59 90218584.88 69795061.11 100925028.6 99437064.3 N-ACETYLMETHIONINE 51276655.26 40234032.24 29679146.62 45522733.53 61756895.6 64152959.39 54006391.15 43208587.59 46125950.17 44528529.78 49331308.66 32552538.93 33494166.15 36025816.7 35982326.55 29733933.76 29899666.11 29097137.76 31256781.96 40054926.28 39284695.77 42844475.48 36911726.72 38251062.2 38323139.92 42985371.49 42854446.78 45002184.37 48870625.02 47049044.47 46942543.72 N-ACETYLNEURAMINATE 13362149.44 11664711.65 9591624.17 13390613.97 13980676.62 14947862.19 13080741.96 12776113.89 13945732.62 14222056.31 16276080.1 10281180.18 11452357.14 12782312.88 30365607.37 9470643.742 9523274.274 11753068.76 26548514.43 12970977.44 16345496.42 49095537.84 12714206.69 16886306.05 43244530.8 11581232.18 14929694.83 44004828.35 13583752.49 17313248.64 44714672.79 N-ACETYLPHENYLALANINE 384917.707 333229.9422 274402.0496 422568.1527 371081.3888 446537.5108 433392.4232 279465.383 327936.7554 359078.0272 454465.056 398223.0325 419263.4393 411535.2797 449245.7889 360650.1994 367990.1422 514694.2121 566414.3351 347678.3973 475199.2449 539041.1026 532163.0176 646362.4337 573345.157 430085.9361 392033.8924 589749.9162 443414.0587 507344.195 650547.4251 N-ACETYLPUTRESCINE 8170217.482 6107656.012 4333072.211 6263529.153 9458308.315 8828095.888 7993166.863 6125495.942 3293402.663 6220938.715 3979418.098 4191584.096 3690205.041 2560075.531 974169.265 3114208.281 2871678.285 1928569.158 732064.8969 6417361.676 3972348.12 1286856.861 5900991.616 3463019.982 1244429.478 5822868.952 3735742.562 1067481.11 7348051.53 3923106.325 1164372.459 N-ACETYLSERINE 49922474.46 43140741.62 27955537.65 46323415.29 53539062.21 59274723.34 50017167.64 38316298.09 40717705.79 40813618.34 46087837.91 30408828.62 33355770.87 34874626.45 36217643.08 27297445.88 31796433.58 31303590.48 32633915.88 37821736.17 42577357.75 43462660.87 36620876.63 42322817.57 42194538.46 36605597.83 43417916.91 42781715.45 42066240.87 45974483.73 46507836.92 NAD 244496776.5 193948851.1 152388116.8 221645142.8 305311267.2 295149535.9 264715157 215370594.7 193206649.3 220145852.3 215775697.7 208124761.4 199874392.5 193136490.5 182122055.2 203017172.5 176983169.2 189247258.7 173629025.8 250753520.7 240746953.8 213443512.9 246252352 238319655.4 208590941.5 228837168.6 223597416.1 211695320.8 285271420.3 254403444.3 229212390.3 NADH 13341936.66 4279685.53 186259.7644 404074.0659 1024333.298 1303654.966 1646254.988 21140951.31 24975478.12 9892543.854 11609680.08 15166149.89 18714014.8 15015179.01 10802755.9 5123458.823 11007116.62 672073.8734 564505.8243 3011631.778 1815344.414 4106541.583 5851752.974 1400513.746 1235810.642 2855892.972 2341248.242 5291901.356 5913083.751 6867655.268 4873771.46 NADP 8220615.034 5478162.427 3992259.294 6820310.875 13060038.3 12216790.37 10845740.91 7023766.921 6544456.094 5605229.232 5467365.01 8285255.788 5333636.884 7653755.591 7518552.706 8363536.768 5101407.385 7829628.828 6976603.416 9781909.945 10739491.58 8866376.849 10729052.78 9710217.848 8748563.076 7874703.977 8029547.506 8806970.995 12550475.68 11759403.63 10074612.07 N-EPSILON-ACETYLLYSINE 2722186.528 3295521.692 1537381.785 3907966.413 3377822.401 5760107.505 3038431.921 2158897.055 3390426.665 2507759.735 4058942.26 1651139.227 3133063.496 3843906.177 4517299.585 1422768.577 2812887.119 3353622.264 4118480.398 2236767.613 4494488.169 5083662.347 2193361.003 4407752.108 4986211.785 2251954.256 4868789.398 5615303.715 2740759.818 5862164.517 6905147.561 N-FORMYL-L-METHIONINE 3235637.891 2581877.986 1841707.037 3045855.171 3338073.505 3462670.356 2849002.375 2882415.943 2582221.828 2768688.107 2822857.099 2182811.186 2212412.408 2525971.848 2571081.26 1982209.175 1899490.598 1906263.108 2173791.568 2441374.343 2452140.162 2855391.875 2351067.639 2364270.273 2460387.301 2488873.261 2408123.52 2734740.476 2652822.865 2519856.554 2646825.879 NICOTINAMIDE 107197613.4 105675945.8 84924352.54 101869199.3 169702451.9 172565658.8 152888007.6 107741224.7 89781386.23 116338968.6 102405242.1 60538937.02 88699896.68 61745003.88 58122257.91 54638268.54 80187105.25 49814258.38 59926677.79 112066333.5 106207037.1 105474819.5 99720628.37 110457966.5 99414100.6 138413878.8 106715240 87666373.88 102859324 103475035.3 104278958.6 NORADRENALINE 954814523.5 715321949.5 506465312.6 788300191.9 1116970152 1062584755 978426533.5 846428044.3 759033116.1 900343548.4 849448232.1 740590389.6 745263972.1 689064263.2 632467029.2 649286384.1 668880483.8 575844135.7 567699256.4 831826687.8 750202732.2 674163824 797775960.1 742226000.6 636362069 863470101.5 829154564.3 747254257.3 1003305671 879341164 779010038.1 O-ACETYLCARNITINE 639697712.2 571297605.6 297620987.7 572237957.9 790678282.1 932623637.7 613422099.7 1769618152 1873802420 1734203210 1938545591 413885000.9 470752412.8 538461339.2 578619785.4 329101521.3 374522500.9 422985283 495700687.4 542965671.9 624923972.9 646783789.5 488280787.7 583552557.9 589749868.6 584041811.5 803106029.5 821697958.8 672810369.8 830711551.8 841297461.1 ORNITHINE 66611100.29 41442665.11 42407792.51 47910128.08 102180964.2 72229563.89 87148005.84 53407169.68 29446327.06 58385563.98 33852956.66 52547714.8 39647843.83 35509034.35 35756306.02 44655495.1 35268789.42 32209999.77 35262160.73 73800438.49 45666328.57 48975326.22 71368738.23 48542902.48 46845756.89 68610485.21 49327503.41 50268002.36 84989706.25 52195319.09 55567965.4 OROTATE 1067726.539 641748.7355 705191.4743 858059.7482 1840702.19 1441955.954 1557373.904 1382810.823 740295.0332 1247326.827 835796.8878 695764.3707 622071.4527 688193.86 320254.0969 869670.707 545176.8994 533307.8598 629087.7235 686449.3753 495879.5058 332712.5502 767601.0121 594318.1626 301864.1905 831566.9133 546638.2646 274516.5861 897963.4748 629272.9124 312272.7226 OXALOACETATE 517116.8152 499722.817 252118.772 539212.4933 761200.536 772450.8654 753027.6171 867388.2574 890352.7663 968306.353 890580.5154 612657.7915 848839.9208 610585.9087 630265.6843 521852.4025 729092.3414 585702.9673 539001.4393 973608.1736 975786.3005 843800.6434 832290.5661 879127.38 813053.0687 877125.3579 964000.3262 970857.828 913208.0496 1178771.908 974137.3397 PANTOTHENATE 1918178508 1368682067 1035712647 1484444692 2142919940 2013450683 1749284275 2027176362 2021661830 1937469320 2023512140 1604846419 1528316359 1546873807 1471995807 1388349745 1312556614 1160793070 1242908419 1593608136 1355832709 1591978310 1481904878 1303205191 1293190834 1707021820 1498980623 1635592302 1751847005 1507097307 1603068385 PHENYLALANINE 1126064488 926207401.6 685486418.9 1001513453 1378832469 1374101406 1196878059 974004613.5 897152767 1031297720 990314809.9 931243427.4 965678598.1 956229179.2 879185174.9 832475388.8 872153023.5 786811349.8 817750993.7 1094709878 1057087265 1018520059 1079068721 1058900301 950656234.3 1125893363 1115171468 1007139866 1256439324 1174161268 1100083619 PHOSPHOCREATINE 1539033972 878613045.6 837414617 859695994.3 1548772786 1163599276 1411773545 2654470339 1760978560 2691284195 1865582177 1496999928 1163057724 910460916.7 738766936.5 1312768276 1070017274 699842483 598630631 1477926327 654035905.9 506291144.9 1386975110 574563761.3 406526078.9 1624661626 982978485.6 844363229.1 1812892531 993501085.7 834232933.2 PHOSPHOENOLPYRUVATE 6842396.803 6588660.619 4297329.878 6348474.127 6316166.335 6894563.968 5885954.323 3387703.172 4422818.517 3410051.676 5351172.86 5372827.629 3524230.966 5335938.25 3887128.43 3797229.357 3143057.199 3694190.367 2869682.993 4743115.905 4539262.726 3560014.562 4353596.52 4338585.307 3380938.958 5010561.319 5418714.076 3580826.067 5012094.546 5337048.433 3581814.043 PHOSPHORYLCHOLINE 20041772719 17719248954 14024494577 18808330604 20308975036 21432075648 19544910393 18110131932 17136803608 18604529569 18278031087 18053514895 17692791869 18220028434 17496758078 16588619042 17060185173 16759423399 16300881172 18714858020 19437324556 18838867339 18630127223 18871800626 18396143522 19468003047 20298172312 19717990512 20251175925 19703237452 20251277700 PHOSPHOSERINE 26998650.85 21306722.17 11131559.37 17334676.9 28932645.25 26915945.68 22857386.68 21982206.81 16489656.58 20560161.02 14756800.14 29127147.32 25776519.68 22078242.99 17924625.48 26809831.03 23111456.14 21043323.21 17599590.61 26908805.38 23901662.39 18957580.06 24018388.61 24512269.24 19036050.51 30379945.09 26848514.25 21454502.06 29930857.08 27227953.58 22593345.17 PIPECOLATE 100000 100000 210079.1879 118709.521 100000 100000 467624.3743 56256.14619 100000 364130.0459 129418.4984 100000 100000 100000 100000 205649.0391 63229.95203 100000 100000 100000 100000 100000 374529.275 58133.71416 100000 100000 100000 100000 473630.1175 60964.61482 60460.27366 PIPERIDINE 6-CARBOXYLATE (P6C / P2C) 485412.6561 100000 33380526.32 20723594.17 2495057.025 784397.1438 322170588.3 357576.4188 152236.9558 34466008.75 9582938.778 268252.3941 192559.1323 175599.0383 151497.3544 26530498.1 3646048.237 2109016.402 951745.8143 381538.3159 320139.2232 206673.9112 66823126.33 24172349.94 7840160.5 550306.3663 236032.4004 167859.8245 192499314.3 13080881.62 3569261.9 P-OCTOPAMINE 78707836.48 65641696.18 53008535.09 63761433.88 72787129.17 71715126.45 71979669.87 86465145.15 89345041.58 81310644.08 80957870.1 54669717.06 54144290.37 49947518.68 49032293.1 57072843.82 53915947.51 55458699.78 53824427.53 49167883.23 43657933.55 45351123.61 48454782.37 46163968.44 45953045.01 45625727.96 44191494.88 45551245.48 40263565.95 39814344.38 39037088.66 PROLINE 3545218438 2787306969 2375467204 3215281269 4032513779 3847741749 3712619237 2854105990 2473705373 2893184951 2904788093 2449327013 2408209869 2484053141 2286298858 2246291605 2206723894 2002298845 2022499056 3165647300 3139794023 2936870736 3184091323 2914006803 2813585154 3116765118 3068195930 3052235789 3640396458 3329598616 3209250740 PROPIONYL-L-CARNITINE 1117113931 688375199.4 500110094 785186162.8 1629769322 1405809918 1265306324 3087339462 1439248902 3229558198 1666415520 755624074.2 697945359.9 602650202.1 584713896.9 604872943.5 582940077 454576581.5 490601364.7 928348878.4 702058012.2 699679806.3 880026525.6 639175566.9 615374177.1 1012293673 618464863.4 671856423.9 1267863862 675505596.5 713767084.2 PTERIN 417020.9327 677842.1092 526361.7781 836956.8291 249107.6576 311724.8811 252944.8096 459193.3355 373330.0127 452977.716 429982.4816 637743.7856 636036.2349 711310.3883 775946.2565 734117.0455 757106.6618 777081.889 1036173.378 396027.5871 353617.5038 434914.4426 336349.8556 531864.9486 526253.4866 522283.8512 389762.8444 314055.059 237476.2109 292396.1698 405397.675 PYRIDOXINE 954682743.8 715301189.6 506476945 788219193.5 1116614182 1062503385 977744080.7 846519830.6 758687639.8 900758233.8 849307444.7 744260214.5 745602592.8 688940870.7 631794494.6 648981277.7 671356948.8 575449572 567436953.7 831415722.8 750482798.9 677160848.6 797464873.5 742154587 636080166.1 863326738.8 829246870.7 747071813.7 1003097184 883707911.8 779180961.9 PYROGLUTAMATE 146955561.7 197344101.2 135910559.1 139135777.8 155394167.5 156646764.1 138946039 112286194.8 109709628.7 129947501.4 132159711.5 107569093.3 109542019.3 108856819 97934939.85 95285716.5 101383617.2 91068847.32 92337544.91 149293750.3 135468588.1 131426260.4 138967107.9 138951796 117240548.6 171669097 150154789.7 115787957.9 153161994.7 142449301.8 129492400.3 RIBOFLAVIN 1188192.159 688786.7451 268723.5656 646808.256 1090271.235 1175992.543 519601.9055 1391257.485 1340652.893 1073899.875 1150811.683 838311.3605 1436780.423 1157795.329 958660.9548 577942.1855 1288123.406 589760.2657 613737.2192 100000 202016.4928 100000 100000 277146.9289 95764.63549 427532.9403 315684.2497 359197.1464 273937.1868 86259.09692 100000 SACCHAROPINE 86405075.59 25644426.33 247758632.3 165213262.7 118198063.8 41158648.16 414918796.3 40725515.92 22838049.58 247867455.4 171770983.5 59106481.45 24423230.23 17449100.63 13542789.28 170556124 73108648.48 47382431.03 37643633.52 76375557.79 18655934.31 14689007.04 307874821.9 87130826.33 64188061.86 73295642.83 19786964.23 15918687.9 401569140.6 117815230 99286008.3 S-ADENOSYLHOMOCYSTEINE 32063509.69 18259255.19 9954901.588 32509414.22 44479514.06 38838016.85 12535460.8 13377741.03 9422311.42 12676679.72 11715984.23 8899682.397 8073153.025 8323204.545 6278320.728 7712050.834 5952505.981 6470223.741 5429284.983 16417192.51 17192015.29 8627354.447 9266081.271 16358407.41 9206827.523 16274867.28 12567712.33 9680677.761 28661455.21 24420983.5 14628687.95 S-ADENOSYLMETHIONINE 57344201.18 51293866.01 46680982.06 53138220.76 67137720.41 67334090.95 69960557.71 61852358.98 53760443.88 73041230.8 67071127.87 65291327.54 57946413.29 54965069.21 49762271.77 61218587.35 54465437.51 59958711.7 53176878.81 66761403.97 57964697.52 45537556.63 68714931.97 54548858.21 46510820.73 57534775.74 61973328.21 48990204.2 70634282.82 65404833.86 55047327.21 SERINE 96564694 84196410.85 55726645.14 92149045.83 105835772.5 120079123.6 95008428.34 85614819.3 82956430.26 88531126.57 86416767.17 95611408.52 103908699.9 108662567.4 115607742.6 88366286.97 96318836.35 98985689.9 110403237.9 100699668.2 119847298.7 134929866.2 100859620.9 114677574.7 129210326.4 105311026.4 115500610.8 125710332.2 109161316 119664237.5 136105672.5 SUCCINATE 17914099.7 13536840.39 12347658.83 19140490.88 29623599.71 23174099.79 25051870.73 18389269.89 14740076.64 22623088.42 17926113.92 16940525.27 21484664.29 16141802.29 13330653.24 15096567.4 21066287.22 13064761.77 12046968.77 21358752.82 17869892.79 13970127.77 23599560.58 19393074.7 14108080.33 16460846.22 16097019.52 11674552.68 24674471.14 18324222.38 12251516.95 TARTRATE / MESO-TARTRATE 1198268.201 974964.2274 740053.3893 1740025.59 877272.2415 1102506.665 829801.2158 818858.4133 673024.7711 715747.1025 1046929.122 576199.9024 734496.3302 713472.3987 752613.013 678547.1486 848337.7522 3013528.518 3056651.894 616252.9528 1461178.462 1836347.936 2742486.605 3188280.443 3221304.767 654087.6724 637738.7968 746985.4096 1042343.359 2179970.81 2652985.638 TAURINE 249469210.3 191842059.6 167157879 214449000.7 285657549.1 258404079 271722163.7 493190262 367361793.4 532984187.9 418602229.2 172579660.2 155855555.2 140242590.9 123657142.9 144069953.4 123344076 116993942.4 108730323.3 252889417.7 209594895.8 193185181.3 248921001.3 200889503.1 180541124.7 233179951.2 208203180.6 187421670.8 290664510.8 232426510.6 211675842.3 THREITOL 920492.9364 754936.3394 511596.5775 879117.9787 1100070.025 1181951.039 998247.6867 2792335.147 2522603.973 3074097.657 2859919.342 853193.3987 893634.4185 899338.7723 1044441.951 734414.3064 853540.072 767521.7158 880252.3215 972931.3916 1094838.523 1256964.667 1028772.047 1077255.299 1212610.25 955848.8285 1065663.979 1233628.284 1100474.06 1169028.98 1315076.63 THREONINE 1486801750 1611544686 1247045520 1504842683 1300754179 1487114443 1144320408 939812613 952626469 851649182.8 924940837.4 1167117238 1274749772 1359000570 1392126270 1066840380 1107202296 1249676414 1225731802 1273880816 1491152893 1522735449 1222623835 1443092986 1398832285 1226231327 1463484910 1420717966 1367213295 1613257859 1507083521 THYMIDINE MONOPHOSPHATE 968253.4624 779660.107 1029517.03 1117583.18 1055785.978 968622.389 1189728.739 954460.9403 716859.554 1040010.771 936706.977 613952.8739 495432.5878 463138.8535 359193.8202 579471.8213 429136.5834 492825.3185 406835.3041 813288.6967 734694.816 468921.097 1017787.302 718283.5256 497010.6299 791512.186 583035.5069 346913.3737 1185235.219 794245.2806 551630.1072 THYMIDINE_NF 413712.9534 316440.6827 285580.3273 464177.7981 311321.4633 347889.8939 307156.5522 292983.0693 359624.1878 348103.1159 429244.2441 294669.3934 259177.7229 281007.6312 258902.3309 276651.0369 272769.001 251056.8154 253618.877 249504.0824 226716.849 210302.9585 270547.1969 275240.6358 251137.3707 294665.4754 282188.8007 249298.4217 375015.3437 306325.8324 321962.6981 TRYPTOPHAN 157621022.3 121085810.5 91074996.47 146625343.5 215893386.4 214027537.2 186476046 153080277.1 143302114.1 152879954.1 149412554.3 122386611.3 141125258.8 127470081.2 122073916.4 115664100.9 123685418.7 103060114.9 107373106.6 147659156.6 144437383.4 137179600.3 144490063 145143408.4 127971219.1 129059417.2 129799740.2 139064822.9 172212615.6 162016810.5 155222388.7 TYROSINE 612754025.9 480910431.8 358182422 555649255.5 768002298 765842071.4 688296378.8 544367627.7 517758616.9 578519810.7 565087957.4 511805978.7 543207518.1 510082449.8 494615510.3 464976889.9 487705300.8 440424958.2 449039529.6 593238339.4 579542358.2 538937374.8 595566916.5 579728487.8 524868078.4 561021864.4 590345836.5 561328025.1 688502077.5 660069508.8 619401866.9 UDP-GLUCOSE / GALACTOSE 194588176 97070711.63 79570170.58 156906666.5 237259531.4 224753530 204731348.6 177057308.9 140585425.1 180117099.4 154439312.7 150565717.4 137545766 131523757.8 97293213.77 139878248.1 113383007.3 118195084.8 93855332.46 191534012 175816058.4 130762463.8 198902955.2 168672896.4 120925589.9 149421512.5 160590023.3 124928797.9 212826932.1 173571407.1 134615457.7 UDP-GLUCURONIC ACID 51168688.13 28587037.27 21861516.84 47570667.95 63122858.91 62346983.76 55763565.02 43408844.66 38935127.3 46467691.88 45080900.96 35984068.69 36881191.91 36726622.56 31190595.21 32998813.88 29785933.55 33303705.87 29331691.67 44251722.04 47815403.27 39176662.9 47349248.08 47351779.36 38019948.82 35418660.2 46161138.87 41562605.42 55279657.87 55874477.12 46626072.93 UDP-N-ACETYLGALACTOSAMINE / GLUCOSAMINE 489665477.9 409454466.5 310329345.7 443501512.2 544323298.9 546493434.4 473168525.2 379993206.1 320720837.6 399282700.9 348894750.8 400012001.2 378622321.4 365104953.4 293853477.5 342386137 336532448.3 324905841.2 280030031.7 447913734.9 421203168.1 321678685.6 416601687.9 415067179.8 315762726.4 443192645.2 429710483.2 324546792.2 484937074.7 429086185.9 356919781.6 URIDINE 364649.3423 326120.0975 363653.6247 449982.3077 393399.5466 386219.7525 394828.0636 282178.2569 328505.6156 366143.0075 447658.2734 368327.6594 394504.8182 410413.9313 392815.3567 465369.7199 318754.5011 423510.5937 596622.0255 295205.4192 299817.89 302505.1585 331637.9938 368339.5759 381408.6815 313997.7547 255373.6279 294877.9686 438770.9882 425628.8301 404227.8957 URIDINE 5'-DIPHOSPHATE 52314624.91 53214856.81 40068736.65 42969748.95 32948204.24 33232420.47 33898465.15 51415589.45 41922092.45 48474683.74 42018421.97 48371812.47 38814154.05 36938065.77 31142873.35 44860632.72 32070245.57 40631760.61 31511869.44 53725916.09 44980241.4 40089918.27 48815063.85 48395289.86 38054117.25 56663823.79 51454762.16 41692557.8 60789152.54 62456426.54 46347195.29 URIDINE MONOPHOSPHATE 26352551.82 74197529.12 37048336.04 12576821.51 2773658.974 3140302.71 2807569.976 12108543 9470411.75 24538393.2 15852910.27 32936164.46 36440030.1 28855654.27 19420921.27 21343577.95 49773084.15 15339001 12257560.91 6283627.6 4618091.486 4611692.016 4802660.188 5364187.762 4573269.188 43262580.47 15600955.89 7600658.66 8483659.037 7475301.234 7095634.863 URIDINE TRIPHOSPHATE 309420125.7 220271490.6 169033558.1 272207424.6 413898635.4 322032467.6 321425394.2 237660111.3 204812095.3 253937901.7 251081711.3 242229809.3 237542751 198303106.6 145999915.2 201250144.7 190675741.2 203386549.5 152232258.6 285078198.8 255643948.5 173673923.6 288731160.2 244907456.4 172933116.7 208504108.3 252580133.6 183647359.3 268928289.2 306151767.2 208746898.4 UROCANATE 1675174.999 1132269.984 845592.9198 1379090.495 1616369.299 1473620.055 1339425.949 1461327.947 2042883.994 3917110.158 1679328.184 863786.7302 1415235.225 949961.3139 915581.7257 1129242.634 1017482.139 949731.6594 1165376.248 841522.8215 884688.3254 1410366.099 1085430.968 967992.2813 827703.3396 1649197.223 1116875.484 841488.5015 994818.0461 1095287.78 1103533.097 VALERYL-L-CARNITINE 309264456.1 209721245.1 152958796.6 216352206.1 384784378.3 338972281.4 297444435.7 805176222.9 364975637.3 774864173.6 394239665.2 237474217.4 227293411.7 211541535.2 229585024.1 188432091.1 183874449.9 157045961.9 179121645.4 253645299.6 217371221.7 257012932.4 230854876.2 189212670.2 209506267 262677938.7 227421794.7 266109000.5 296314205 224340372.1 252941496.1 VALINE 432838239.6 383390577.9 291772463.8 410032173.6 493178991.4 519420190 455459559.1 374579498.7 362947596.3 394830712.8 400713706.9 361060205.4 384337123.7 389230345.6 380682172.9 334510986.8 354882377.9 337454174.3 355571666.8 399129079.5 416610321.8 416444602.4 396000221.9 410263684.7 402643454.9 410959111.6 440108640 436413258.5 463344351.4 470730020.9 466470036.6 XANTHINE 493833.5325 395017.1861 459982.6451 586173.8383 528820.9907 480946.6179 590242.9653 8554042.674 7691608.763 9021780.409 8773512.295 375015.5262 571537.5351 430810.1391 367250.8692 478218.8873 313034.7106 315307.0404 467921.3908 425366.1246 317655.6233 302550.7485 327058.6948 341805.9201 355530.7219 375091.8137 226553.4642 238404.5252 362040.9454 276601.0446 267187.4317 XANTHOSINE-MONOPHOSPHATE 382368.3708 286294.6235 220310.1951 326197.7175 726831.4016 788459.0099 643450.0253 322300.5032 284980.969 348679.1572 348159.4866 334518.7235 316071.726 307808.1801 235526.9101 267694.2097 258606.3455 296034.0658 232815.4847 538866.8804 469419.8877 382101.6116 610589.6797 525978.8032 326063.013 427614.4728 470081.3536 309197.5139 567590.5405 622130.7141 384245.7191 2,3-DIPHOSPHO-D-GLYCERIC ACID 170634.0748 97696.02311 35643.6981 119564.0229 292352.08 198549.7863 200152.6287 88956.34297 81590.43585 113637.83 112711.2763 137241.8861 108483.3706 86116.18139 53053.83941 104780.8702 75180.07403 99855.08877 54514.74143 234793.2609 173461.7821 61550.0185 223566.8218 202714.3839 81337.01089 164422.7146 177976.2556 80825.02843 251193.904 250494.5597 106310.3456 2-PHOSPHOGLYCERATE 952133.9034 767534.3107 429773.4574 704442.8139 753214.3664 790428.6565 684989.3914 764346.543 936514.7003 855441.0006 1066462.882 664878.3628 946987.5022 638766.2308 449288.4795 464366.0265 726606.7518 497940.2254 392486.3332 652959.0206 633833.4012 476321.5526 591303.1871 653955.137 483123.4851 654947.4045 776257.2477 455974.5248 697622.3294 800974.3589 536379.1631 3-HYDROXYMETHYLGLUTARATE 2313841.644 2056472.346 1310559.701 1876753.61 2945295.027 3156751.342 2164639.402 1508340.104 1826183.519 1503390.513 1894186.651 1780304.134 1823011.524 1797742.688 1786335.143 1392978.399 1420710.064 1366980.012 1410882.638 2191566.922 2091643.783 2020291.329 1817353.377 1703846.4 1608061.735 2116872.362 2216019.393 2396900.211 2155585.977 2019182.318 2211739.98 3-PHOSPHOGLYCERATE 953809.6906 768653.6162 430247.1274 704915.5945 754309.3607 791321.0305 686609.864 765478.6972 937096.6225 856980.2295 1067270.178 665278.5879 947446.0449 639395.2407 449440.105 464723.4174 727384.4192 498140.0887 392538.6266 653625.7113 634174.506 476995.7804 592339.3924 654490.1404 483165.5062 655232.227 776932.2932 456590.73 698473.142 801800.5756 537171.794 CITRATE / ISOCITRATE 27683476.62 24473562.47 15231355.53 26795357.05 35466925.97 35504739.81 31007868.4 40190309.03 39520470.44 45148676.01 44301427.6 29337823.42 40158144.81 28273590.22 29183592.2 26270312.91 35526642.2 27731699.53 28407150.68 41505610.8 42007378.95 38261740.9 40514328.33 42882644.92 40046622.92 37927620.64 46115236.98 44192506.88 43379154.68 50241186.23 45362088.44 ISOLEUCINE 38038158.59 35773830.13 30029528.59 37303988.09 42683654.02 43264025.25 41589630.85 32417267 31237567.49 33782008.12 33774529.07 31215845.17 32788123.12 32956156.5 32812701.13 29227156.4 30320338.31 28985296.09 29507188.35 35480179.76 35222703.94 35991270.48 35517556.71 35336471.66 34130561.65 36888190.57 38111196.16 36844046.81 41009729.25 39502849.98 39603373.06 LEUCINE 33912739.06 30889977.18 28019424.53 33254685.77 38746775.82 37552386.01 37624516.11 30260033.12 28086557.32 32255366.7 30596946.56 28902235.86 29049595.58 29141006.18 28006362.55 26861549.97 27275169.91 25521481.71 26047577.39 32549334.91 31624420.6 31940260.33 31850463.61 31457935.17 30283104.88 33312995.67 33186797.92 32654495.32 37089756.58 34810849.79 34327504.44 N6-(DELTA2-ISOPENTENYL)-ADENINE 248478.1069 212613.1908 186071.6057 271548.057 357945.5505 348951.1639 298521.1548 220931.3737 237574.1924 252759.4454 316622.6864 146907.1102 150807.3399 122931.8287 88798.5124 135692.1916 116691.6295 150681.8453 148686.6343 218829.6575 206749.1434 160856.203 243309.3061 258893.991 198572.0788 217400.4747 179606.5651 127485.2151 299562.012 233342.6775 196073.94 O-PHOSPHOETHANOLAMINE 257970.5428 171223.4348 329413.7261 410035.4808 226586.7792 179955.1975 271500.4665 4934513.913 4813516.078 5849576.256 5506032.47 364094.7062 345747.6451 295346.5888 534561.7967 858360.954 780234.9304 695433.0603 1246671.918 241314.7851 187189.6227 325306.09 419842.8531 391266.5299 1030496.241 203310.8736 172366.6726 237228.8828 269210.3527 220526.9453 314087.2308 OXALATE 331322.7544 528000.581 371743.5353 389483.3372 166480.715 157015.4442 149548.2209 165341.5845 158383.8853 269871.8434 236551.7907 371189.7875 418148.6143 307787.106 291128.705 342325.6322 539319.6668 699499.058 696223.2004 284986.2083 319662.8139 412028.403 543032.9351 612670.6068 602920.8953 406827.1483 287401.6959 188337.7818 248331.8148 434989.8657 534361.0409 PHOSPHORIBOSYL PYROPHOSPHATE_NF 57346.40478 23142.42507 3221.187697 34499.72323 107237.6547 98457.40797 63016.17748 37013.64245 42896.53375 35765.03303 52019.97052 55439.26937 71323.78517 54648.86667 45057.32244 41128.94371 44202.00235 49616.96347 41731.84976 75933.75156 91215.40692 50333.50212 67920.94177 90613.0439 58828.14189 59722.47402 116942.7172 80203.75153 107023.923 152736.1328 98078.91801 RIBOSE 1,5-BISPHOSPHATE 28943.35131 23906.63097 14374.38731 31606.09405 41846.97792 43985.17753 39612.81475 30055.48532 37159.55367 32298.88802 44364.31926 30993.58271 40748.87926 35536.79503 32101.62277 26054.59291 29989.71148 34113.70606 33241.90818 41859.35089 49041.12291 42553.40447 38241.14468 41749.80274 41340.06302 30903.80484 44336.38744 41689.88562 41230.85604 50227.12113 48455.60673 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Chemical Formula RT Mass (m/z) Category 10-HYDROXYDECANOATE C10H20O3 2.77 187.134 HMDB0244272 1-METHYLNICOTINAMIDE_NF C7H9N2O 31.16 137.0709 HMDB0000699 2,3-DIHYDROXYBENZOATE C7H6O4 2.71 153.0193 HMDB0000397 2,3-DIPHOSPHO-D-GLYCERIC ACID C3H8O10P2 17.71 264.95199 HMDB0001294 2-HYDROXYGLUTARIC ACID C5H8O5 13.24 147.0299 HMDB0059655 2-OXOADIPIC ACID C6H8O5 12.51 159.0299 HMDB0000225 2-PHOSPHOGLYCERATE C3H7O7P 15.94 184.9857 HMDB0000362 3-HYDROXYMETHYLGLUTARATE C6H10O5 12.28 161.0455 HMDB0000355 3-METHYL-2-OXOBUTYRATE C5H8O3 3.21 115.04007 HMDB0000019 3-PHOSPHOGLYCERATE C3H7O7P 16.16 184.9857 HMDB0000807 3-SULFINOALANINE C3H7NO4S 12.22 152.0023 HMDB0000996 4-GUANIDINOBUTANOATE C5H11N3O2 12.76 146.0924 HMDB0003464 4-HYDROXY-L-PROLINE C5H9NO3 12.69 130.051 HMDB0006055 4-IMIDAZOLEACETATE C5H6N2O2 8.2 127.0502 HMDB0002024 4-PYRIDOXATE C8H9NO4 2.87 182.0459 HMDB0000017 5-METHYLCYTIDINE C10H15N3O5 7.22 258.1084 HMDB0000982 6-PHOSPHOGLUCONATE C6H13O10P 16.86 275.0168 HMDB0001316 ADENOSINE 2',3'-CYCLIC PHOSPHATE C10H12N5O6P 5.2 328.0452 HMDB0011616 ADENOSINE DIPHOSPHATE RIBOSE_NF C15H23N5O14P2 13.01, 12.99 558.06440,560.07900 HMDB0001178 ADP / dGDP C10H15N5O10P2 13.77 428.0367 HMDB0001341 / HMDB0000960 AICAR C9H15N4O8P 13.23 337.0555 HMDB0001517 ALANINE / SARCOSINE C3H7NO2 12.48 90.055 HMDB0000161 / HMDB0000271 ALPHA-HYDROXYISOBUTYRATE C4H8O3 4.25 103.0395 HMDB0000729 ALPHA-KETOGLUTARIC ACID C5H6O5 13.6 145.01425 HMDB0000208 AMINOADIPATE C6H11NO4 12.8 162.0761 HMDB0000510 AMP / dGMP C10H14N5O7P 11.71 348.0704 HMDB0000045 / HMDB0001044 ARGININE C6H14N4O2 28.5 175.119 HMDB0000517 ARGININOSUCCINIC ACID C10H18N4O6 14.93 291.13046 HMDB0000052 ASPARAGINE C4H8N2O3 13.15 133.0608 HMDB0000168 ASPARTATE C4H7NO4 12.55 132.0302 HMDB0000191 ATP / dGTP C10H16N5O13P3 15.47 505.98793 HMDB0000538 / HMDB0001440 BETA-ALANINE C3H7NO2 13.12 90.055 HMDB0000056 BETA-GLYCEROPHOSPHATE C3H9O6P 12.25 171.0064 HMDB0002520 BETA-HYDROXY(ISO)BUTYRATE C4H8O3 6.09 103.04007 HMDB0000011 / HMDB0000023 BETAINE C5H11NO2 7.91 116.0717 HMDB0000043 BUTYRYL-L-CARNITINE C11H21NO4 4.98 232.15433 HMDB0002013 CARNOSINE C9H14N4O3 13.78 227.1139 HMDB0000033 CDP-ETHANOLAMINE C11H20N4O11P2 14.49 447.0677 HMDB0001564 CIS-ACONITIC ACID C6H6O6 16.45 173.00916 HMDB0000072 CITICOLINE C14H27N4O11P2 13.28 489.1146 HMDB0001413 CITRATE / ISOCITRATE C6H8O7 16.84 191.0195 HMDB0000094 / HMDB0000193 COENZYME A C21H36N7O16P3S 12.5 766.10739 HMDB0001423 CREATINE C4H9N3O2 12.25 132.0768 HMDB0000064 CREATININE C4H7N3O 6.13 112.0516 HMDB0000562 CYCLIC AMP C10H12N5O6P 5.03 330.0598 HMDB0000058 CYS-GLY C5H10N2O3S 12.24 177.0334 HMDB0000078 CYSTATHIONINE C7H14N2O4S 15.34 223.0747 HMDB0000099 CYSTEATE C3H7NO5S 13.06 167.9972 HMDB0002757 CYTIDINE C9H13N3O5 8.77 244.0928 HMDB0000089 CYTIDINE DIPHOSPHATE C9H15N3O11P2 15.87 404.0255 HMDB0001546 CYTIDINE MONOPHOSPHATE C9H14N3O8P 13.95 324.0591 HMDB0000095 CYTIDINE TRIPHOSPHATE C9H16N3O14P3 17.42 483.99235 HMDB0000082 CYTOSINE_iso1 C4H5N3O 6.92 112.0505 HMDB0000630 DEOXYADENOSINE C10H13N5O3 4.2 252.1091 HMDB0000101 DEOXYADENOSINE TRIPHOSPHATE C10H16N5O12P3 14.66 492.00866 HMDB0001532 DEOXYCARNITINE C7H15NO2 10.73 146.1176 HMDB0001161 DEOXYCYTIDINE C9H13N3O4 6.93 228.0975 HMDB0000014 DEOXYCYTIDINE DIPHOSPHATE C9H15N3O10P2 14.85 388.0311 HMDB0001245 DEOXYCYTIDINE MONOPHOSPHATE C9H14N3O7P 12.81 306.0497 HMDB0001202 DEOXYCYTIDINE TRIPHOSPHATE C9H16N3O13P3 16.69 467.99687 HMDB0000998 DEOXYGUANOSINE C10H13N5O4 7.62 266.0895 HMDB0000085 DEOXYURIDINE MONOPHOSPHATE C9H13N2O8P 11.75 307.0337 HMDB0001409 D-GLUCOSE C6H12O6 12.4 179.0556 HMDB0003345 DIETHANOLAMINE C4H11NO2 19.5 106.0863 HMDB0004437 DIHYDROBIOPTERIN C9H13N5O3 9.47 240.1097 HMDB0000038 DIHYDROOROTATE C5H6N2O4 7.58 157.0255 HMDB0003349 DIHYDROXYACETONE PHOSPHATE C3H7O6P 13.49 168.9902 HMDB0001473 D-RIBOSE 5-PHOSPHATE C5H11O8P 13.65 229.0119 HMDB0001548 DTDP-D-GLUCOSE C16H26N2O16P2 13.25 563.0685 HMDB0001328 ETHYL 3-UREIDOPROPIONATE C6H12N2O3 4.27 161.0926 null FRUCTOSE 6-PHOSPHATE C6H13O9P 14.11 259.0224 HMDB0000124 FRUCTOSE BISPHOSPHATE C6H14O12P2 17.04 338.9882 HMDB0001058 FUMARATE C4H4O4 13.97 115.0037 HMDB0000134 GALACTITOL C6H14O6 11.27 181.0718 HMDB0000107 GAMMA-AMINOBUTYRATE C4H9NO2 13.33 104.07043 HMDB0000112 GDP-MANNOSE C16H25N5O16P2 16.93 604.0699 HMDB0001163 GLUCOSAMINE 6-PHOSPHATE C6H14NO8P 14.97 260.053 HMDB0001254 GLUCOSE 6-PHOSPHATE C6H13O9P 15.11 259.0224 HMDB0001401 GLUCURONATE C6H10O7 13.61 193.0354 HMDB0000127 GLUTAMATE C5H9NO4 12.43 148.0604 HMDB0000148 GLUTAMINE C5H10N2O3 12.98 147.0764 HMDB0000641 GLUTATHIONE OXIDIZED C20H32N6O12S2 15.96 613.15851 HMDB0003337 GLUTATHIONE REDUCED C10H17N3O6S 12.08 308.0911 HMDB0000125 GLYCERALDEHYDE 3-PHOSPHATE C3H7O6P 14.62 168.9902 HMDB0001112 GLYCEROL 3-PHOSPHATE C3H9O6P 13.02 171.0064 HMDB0000126 GLYCEROPHOSPHOCHOLINE C8H20NO6P 12.38 258.1096 HMDB0000086 GLYCINE C2H5NO2 13.51 76.0393 HMDB0000123 GLYCOCHENODEOXYCHOLATE C26H43NO5 2.61 448.3068 HMDB0000637 GUANIDINOACETATE C3H7N3O2 13.51 118.0611 HMDB0000128 GUANOSINE C10H13N5O5 9.52 284.0989 HMDB0000133 GUANOSINE DIPHOSPHATE C10H15N5O11P2 16.81 444.0316 HMDB0001201 GUANOSINE MONOPHOSPHATE C10H14N5O8P 14.91 364.0653 HMDB0001397 GUANOSINE TRIPHOSPHATE C10H16N5O14P3 18.21 523.9985 HMDB0001273 HYPOTAURINE C2H7NO2S 12.65 110.027 HMDB0000965 HYPOXANTHINE C5H4N4O 7.36 137.0458 HMDB0000157 INDOLE-3-LACTIC ACID C11H11NO3 4.25 204.06662 HMDB0000671 INOSINE C10H12N4O5 7.4 269.088 HMDB0000195 INOSINE MONOPHOSPHATE C10H13N4O8P 13.67 347.0398 HMDB0000175 ISOLEUCINE C6H13NO2 8 132.1019 HMDB0000172 ISOPENTENYL PYROPHOSPHATE C5H12O7P2 10.96 244.9985 HMDB0001347 KYNURENINE C10H12N2O3 7.51 209.0921 HMDB0000684 LACTATE C3H6O3 5.6 89.02436 HMDB0000190 L-CARNITINE C7H15NO3 10.64 162.1125 HMDB0000062 LEUCINE C6H13NO2 7.39 132.1019 HMDB0000687 LYSINE C6H14N2O2 26.7 147.11335 HMDB0000182 MALATE C4H6O5 14.32 133.0142 HMDB0031518 MALEATE C4H4O4 7.43 115.0037 HMDB0000176 METHIONINE C5H11NO2S 8.29 150.0583 HMDB0000696 METHYL GALACTOSIDE_NF C7H14O6 7.95, 7.94, 7.94 193.07180,195.08630,217.06830 HMDB0246173 METHYLTHIOADENOSINE C11H15N5O3S 3.76 298.0968 HMDB0001173 N,N,N-TRIMETHYLLYSINE C9H20N2O2 23.5 189.1598 HMDB0001325 N,N-DIMETHYLARGININE C8H18N4O2 23.5 203.1503 HMDB0001539 N6-(DELTA2-ISOPENTENYL)-ADENINE C10H13N5 2.92 204.1244 null N-ACETYLALANINE C5H9NO3 4.69 132.0655 HMDB0000766 N-ACETYLASPARTATE C6H9NO5 12.88 174.0408 HMDB0000812 N-ACETYLCYSTEINE C5H9NO3S 4.36 162.023 HMDB0001890 N-ACETYLGLUCOSAMINE / MANNOSAMINE / GALACTOSAMINE C8H15NO6 8.65 222.0972 HMDB0000215 / HMDB0001129 / HMDB0000212 N-ACETYLGLUTAMATE C7H11NO5 12.37 188.0564 HMDB0001138 N-ACETYLMETHIONINE C7H13NO3S 2.96 192.0689 HMDB0011745 N-ACETYLNEURAMINATE C11H19NO9 11.5 308.0987 HMDB0000230 N-ACETYLPHENYLALANINE C11H13NO3 2.91 208.0968 HMDB0000512 N-ACETYLPUTRESCINE C6H14N2O 24 131.1179 HMDB0002064 N-ACETYLSERINE C5H9NO4 7.22 148.0604 HMDB0002931 NAD C21H28N7O14P2 12.25 664.11554 HMDB0000902 NADH C21H29N7O14P2 11.98 666.13205 HMDB0001487 NADP C21H28N7O17P3 15.82 744.0827 HMDB0000217 N-EPSILON-ACETYLLYSINE C8H16N2O3 10.26 189.1234 HMDB0000206 N-FORMYL-L-METHIONINE C6H11NO3S 3.32 176.0387 HMDB0001015 NICOTINAMIDE C6H6N2O 4.23 123.0553 HMDB0001406 NORADRENALINE C8H11NO3 4.67 170.0817 HMDB0000216 O-ACETYLCARNITINE C9H17NO4 7.71 204.123 HMDB0000201 O-PHOSPHOETHANOLAMINE C2H8NO4P 14.07 142.0264 HMDB0000224 ORNITHINE C5H12N2O2 24.5 133.0972 HMDB0000214 OROTATE C5H4N2O4 6.43 155.0098 HMDB0000226 OXALATE C2H2O4 15.87 88.988 HMDB0002329 OXALOACETATE C4H4O5 16.8 130.9981 HMDB0000223 PANTOTHENATE C9H17NO5 4.66 220.1179 HMDB0000210 PHENYLALANINE C9H11NO2 6.48 166.0863 HMDB0000159 PHOSPHOCREATINE C4H10N3O5P 13.38 212.0431 HMDB0001511 PHOSPHOENOLPYRUVATE C3H5O6P 16.85 166.9751 HMDB0000263 PHOSPHORIBOSYL PYROPHOSPHATE_NF C5H13O14P3 18.50, 18.50 388.94400,390.95960 HMDB0000280 PHOSPHORYLCHOLINE C5H14NO4P 12.8 184.0733 HMDB0001565 PHOSPHOSERINE C3H8NO6P 14.9 186.0162 HMDB0000272 PIPECOLATE C6H11NO2 9.32 128.0717 HMDB0000716 PIPERIDINE 6-CARBOXYLATE (P6C / P2C) C6H9O2N 8.43 128.07061 HMDB0012130 / HMDB0001084 P-OCTOPAMINE C8H11NO2 12.95 154.0863 HMDB0004825 PROLINE C5H9NO2 9.83 116.0706 HMDB0000162 PROPIONYL-L-CARNITINE C10H19NO4 6.15 218.13868 HMDB0000824 PTERIN C6H5N5O 7.21 164.0567 HMDB0000802 PYRIDOXINE C8H11NO3 4.71 170.0812 HMDB0000239 PYROGLUTAMATE C5H7NO3 6.54 130.0499 HMDB0000267 RIBOFLAVIN C17H20N4O6 4.87 377.1456 HMDB0000244 RIBOSE 1,5-BISPHOSPHATE C5H12O11P2 15.82 308.9777 HMDB0011688 SACCHAROPINE C11H20N2O6 13.74 277.13901 HMDB0000279 S-ADENOSYLHOMOCYSTEINE C14H20N6O5S 11.53 385.1289 HMDB0000939 S-ADENOSYLMETHIONINE C15H23N6O5S 15.79 399.1445 HMDB0001185 SERINE C3H7NO3 13.71 104.0353 HMDB0000187 SUCCINATE C4H6O4 13.26 117.0193 HMDB0000254 TARTRATE / MESO-TARTRATE C4H6O6 15.16 149.0086 HMDB0029878 TAURINE C2H7NO3S 12.38 124.0074 HMDB0000251 THREITOL C4H10O4 8.48 121.0506 HMDB0004136 THREONINE C4H9NO3 12.43 120.0655 HMDB0000167 THYMIDINE MONOPHOSPHATE C10H15N2O8P 11.52 321.0493 HMDB0001227 THYMIDINE_NF C10H14N2O5 4.24 241.083 HMDB0000273 TRYPTOPHAN C11H12N2O2 8.33 205.0972 HMDB0013609 TYROSINE C9H11NO3 10.17 182.0812 HMDB0000158 UDP-GLUCOSE / GALACTOSE C15H24N2O17P2 14.88 565.0477 HMDB0000286 / HMDB0000302 UDP-GLUCURONIC ACID C15H22N2O18P2 18.3 579.027 HMDB0000935 UDP-N-ACETYLGALACTOSAMINE / GLUCOSAMINE C17H27N3O17P2 13.48 606.0743 HMDB0000304 / HMDB0000290 URIDINE C9H12N2O6 6.37 243.0623 HMDB0000296 URIDINE 5'-DIPHOSPHATE C9H14N2O12P2 15.2 402.99438 HMDB0000295 URIDINE MONOPHOSPHATE C9H13N2O9P 13.19 323.0286 HMDB0000288 URIDINE TRIPHOSPHATE C9H15N2O15P3 17.15 482.9607 HMDB0000285 UROCANATE C6H6N2O2 7.23 139.0502 HMDB0000301 VALERYL-L-CARNITINE C12H23NO4 4.64 246.16998 HMDB0013128 VALINE C5H11NO2 9.53 118.0863 HMDB0000883 XANTHINE C5H4N4O2 7.66 151.0261 HMDB0000292 XANTHOSINE-MONOPHOSPHATE C10H13N4O9P 17.1 365.0493 HMDB0001554 METABOLITES_END #END