#METABOLOMICS WORKBENCH jkvist_20241008_010833 DATATRACK_ID:5269 STUDY_ID:ST003523 ANALYSIS_ID:AN005785 PROJECT_ID:PR002167 VERSION 1 CREATED_ON October 17, 2024, 6:03 pm #PROJECT PR:PROJECT_TITLE Hypermetabolism induced pantothenate depletion in MT-ATP6 neuropathy PR:PROJECT_SUMMARY Mitochondrial DNA mutations frequently result in mitochondrial dysfunction and PR:PROJECT_SUMMARY energy deficits, compromising cellular and tissue functions. However, in some PR:PROJECT_SUMMARY cases, bioenergetic deficits triggers a futile cycle of energy production and PR:PROJECT_SUMMARY consumption to maintain cellular function, a phenomenon termed hypermetabolism. PR:PROJECT_SUMMARY In this study, we used patient iPSC-derived motor neurons to investigate a PR:PROJECT_SUMMARY truncating heteroplasmic mutation in the MT-ATP6 gene, which encodes a subunit PR:PROJECT_SUMMARY of the proton pore of the ATP synthase. We successfully generated motor neurons PR:PROJECT_SUMMARY with 50% mutation heteroplasmy, despite adverse effects on ATP synthase PR:PROJECT_SUMMARY assembly. Through a combination of respirometry, metabolomic tracing, and PR:PROJECT_SUMMARY proteomic analysis, we observed increased metabolic activity in mutant motor PR:PROJECT_SUMMARY neurons, indicative of a hypermetabolic phenotype. This is the first study to PR:PROJECT_SUMMARY explore hypermetabolism in neurons, revealing new significant implications of PR:PROJECT_SUMMARY this state. This hypermetabolic state Hypermetabolism led to the PR:PROJECT_SUMMARY reprioritization of the core metabolite acetyl-CoA and depletion of its PR:PROJECT_SUMMARY precursor, resulting in the downregulation . We also observed the downregulation PR:PROJECT_SUMMARY of epigenetic and SUMOylation pathways, likely as compensatory and adaptive PR:PROJECT_SUMMARY mechanisms. Our findings suggest a link between mitochondrial dysfunction and PR:PROJECT_SUMMARY SUMOylation, highlighting a potential new contributor to the mitochondrial PR:PROJECT_SUMMARY hypermetabolic phenotype. PR:INSTITUTE University of Helsinki PR:DEPARTMENT Faculty of Medicine PR:LABORATORY Tyynismaa lab PR:LAST_NAME Torregrosa-Muñumer PR:FIRST_NAME Rubén PR:ADDRESS Biomedicum Helsinki, Haartmaninkatu 8, 00290 Helsinki, Finland PR:EMAIL ruben.torregrosa@helsinki.fi PR:PHONE +358294125800 PR:FUNDING_SOURCE Academy of Finland Centre of Excellence on Stem Cell Metabolism (MetaStem), PR:FUNDING_SOURCE Academy of Finland Postdoctoral fellowship to RTM, and Sigrid Juselius PR:FUNDING_SOURCE Foundation. PR:CONTRIBUTORS Rubén Torregrosa-Muñumer, Jeremi Turkia, Jouni Kvist, Jana Pennonen, Emilia PR:CONTRIBUTORS Kuuluvainen, Pekka Katajisto, Ville Hietakangas, Emil Ylikallio, Henna Tyynismaa #STUDY ST:STUDY_TITLE Hypermetabolism induced pantothenate depletion in MT-ATP6 neuropathy ST:STUDY_SUMMARY Mitochondrial DNA mutations frequently result in mitochondrial dysfunction and ST:STUDY_SUMMARY energy deficits, compromising cellular and tissue functions. However, in some ST:STUDY_SUMMARY cases, bioenergetic deficits triggers a futile cycle of energy production and ST:STUDY_SUMMARY consumption to maintain cellular function, a phenomenon termed hypermetabolism. ST:STUDY_SUMMARY In this study, we used patient iPSC-derived motor neurons to investigate a ST:STUDY_SUMMARY truncating heteroplasmic mutation in the MT-ATP6 gene, which encodes a subunit ST:STUDY_SUMMARY of the proton pore of the ATP synthase. We successfully generated motor neurons ST:STUDY_SUMMARY with 50% mutation heteroplasmy, despite adverse effects on ATP synthase ST:STUDY_SUMMARY assembly. Through a combination of respirometry, metabolomic tracing, and ST:STUDY_SUMMARY proteomic analysis, we observed increased metabolic activity in mutant motor ST:STUDY_SUMMARY neurons, indicative of a hypermetabolic phenotype. This is the first study to ST:STUDY_SUMMARY explore hypermetabolism in neurons, revealing new significant implications of ST:STUDY_SUMMARY this state. This hypermetabolic state Hypermetabolism led to the ST:STUDY_SUMMARY reprioritization of the core metabolite acetyl-CoA and depletion of its ST:STUDY_SUMMARY precursor, resulting in the downregulation . We also observed the downregulation ST:STUDY_SUMMARY of epigenetic and SUMOylation pathways, likely as compensatory and adaptive ST:STUDY_SUMMARY mechanisms. Our findings suggest a link between mitochondrial dysfunction and ST:STUDY_SUMMARY SUMOylation, highlighting a potential new contributor to the mitochondrial ST:STUDY_SUMMARY hypermetabolic phenotype. ST:INSTITUTE University of Helsinki ST:LAST_NAME Torregrosa-Muñumer ST:FIRST_NAME Rubén ST:ADDRESS Biomedicum Helsinki, Haartmaninkatu 8, 00290 Helsinki, Finland ST:EMAIL ruben.torregrosa@helsinki.fi ST:PHONE +358294125800 #SUBJECT SU:SUBJECT_TYPE Human 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 - WT_73_1h_1 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=73; RAW_FILE_NAME(Raw file name)=01_1h_GLU_73_1_Ruben_set140322023_Glucose_RERUN.raw SUBJECT_SAMPLE_FACTORS - WT_73_1h_2 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=73; RAW_FILE_NAME(Raw file name)=02_1h_GLU_73_2.raw SUBJECT_SAMPLE_FACTORS - WT_73_1h_3 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=73; 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RAW_FILE_NAME(Raw file name)=75_1h_GLU_84_3.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_1h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Cell line=84; RAW_FILE_NAME(Raw file name)=76_1h_GLU_84_4.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_1h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Cell line=84; RAW_FILE_NAME(Raw file name)=77_1h_GLU_84_5.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_1h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Cell line=84; RAW_FILE_NAME(Raw file name)=78_1h_GLU_84_6.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=79_12h_GLU_84_1.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=80_12h_GLU_84_2.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=81_12h_GLU_84_3.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=82_12h_GLU_84_4.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=83_12h_GLU_84_5.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=84_12h_GLU_84_6.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=85_48h_GLU_84_1.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=86_48h_GLU_84_2.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=87_48h_GLU_84_3.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=88_48h_GLU_84_4.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=89_48h_GLU_84_5.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=90_48h_GLU_84_6.raw #COLLECTION CO:COLLECTION_SUMMARY Human iPSC derived from a patient carrying the MT-ATP6 mutation were generated CO:COLLECTION_SUMMARY previously (Kenvin et al., 2022, DOI: 10.1093/hmg/ddab299). Two isogenic CO:COLLECTION_SUMMARY controls with 0% heteroplasmy and three mutants with 49%, 52% and 54% CO:COLLECTION_SUMMARY heteroplasmy were differentiated into motor neurons. Each genotype was incubated CO:COLLECTION_SUMMARY with 13C glucose for 1, 12, or 48 hours at day 30 of differentiation. 6 CO:COLLECTION_SUMMARY replicates per cell line per time point were collected for metabolomic CO:COLLECTION_SUMMARY profiling. Cell lines numbers are in-house identifiers. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY iPSCs were differentiated into iPSC-MN following a protocol described elsewhere TR:TREATMENT_SUMMARY (Guo et al., 2017, DOI: 10.1038/s41467-017-00911-y & Maury et al., 2015, DOI: TR:TREATMENT_SUMMARY 10.1038/nbt.3049) with slight modifications. Neuronal basal medium (vol:vol TR:TREATMENT_SUMMARY DMEM/F-12 (Gibco, #31331-028) and Neurobasal (Gibco, #21103-049)) was TR:TREATMENT_SUMMARY supplemented with N2 (Gibco, #17502048), B-27 (Gibco, #17504044), 0.1mM TR:TREATMENT_SUMMARY L-ascorbic acid (Santa Cruz, #sc-394304), 50µg/mL Uridine (Sigma, #U3003) and TR:TREATMENT_SUMMARY 100µg/mL primocin (InvivoGen, #ant-pm-05). For neural induction and TR:TREATMENT_SUMMARY caudalization to obtain neuroepithelial progenitor (NEP) cells, iPSCs were TR:TREATMENT_SUMMARY dissociated using EDTA and 10⁵ cells / cm2 were plated on ultra-low attachment TR:TREATMENT_SUMMARY dishes. On day 0, neuronal basal medium was supplemented with 3 μM Chir-99021 TR:TREATMENT_SUMMARY (Selleckchem, #S1263), 40 μM SB431542 (Millipore, #616461), 0,2 μM LDN-193189 TR:TREATMENT_SUMMARY (Sigma, #SML0559) and 5 μM Y-27632 (Selleckhem, #S6390). The medium was TR:TREATMENT_SUMMARY replaced the following day. From day 2 to 6, media was changed to neuronal basal TR:TREATMENT_SUMMARY medium supplemented with 0.1 μM retinoic acid (ThermoFisher, #044540-04) and TR:TREATMENT_SUMMARY 0.5 μM SAG (Millipore, #566660). On day 7, medium was replaced with neuronal TR:TREATMENT_SUMMARY basal medium supplemented with retinoic acid and SAG as previously, plus 10ng/ml TR:TREATMENT_SUMMARY BDNF (Peprotech, #450-02) and GDNF 10ng/ml (Peprotech, #450-10). On day 9, TR:TREATMENT_SUMMARY medium was replaced as previously, and 20 μM DAPT (Sigma, #D5942) was added to TR:TREATMENT_SUMMARY the fresh media. On day 10, the motor neuron spheres were dissociated into TR:TREATMENT_SUMMARY single cells with Accumax (Invitrogen, #00-4666-56), and motor neuron TR:TREATMENT_SUMMARY progenitors were plated on 50 μg/ml poly-D-lysine (Millipore, #633307) and 10 TR:TREATMENT_SUMMARY μg/ml laminin (Sigma, #L2020) coated plates at 60 000 cells / cm2. On day 11, TR:TREATMENT_SUMMARY fresh medium was added to the wells. On day 14, half of the medium was replaced TR:TREATMENT_SUMMARY with neuronal basal medium supplemented only with DAPT, BDNF and GDNF. From day TR:TREATMENT_SUMMARY 16 on, we used neuronal basal medium supplemented with 10 ng/ml BDNF, GDNF and TR:TREATMENT_SUMMARY CNTF (Peprotech, #450-13) and replaced half of the culture medium every TR:TREATMENT_SUMMARY other/third day. All the experiments were performed on day 30 unless otherwise TR:TREATMENT_SUMMARY indicated. Occasionally, "flat cells" (other neuronal types and progenitors) TR:TREATMENT_SUMMARY appear in the motor neuron culture. However, we only used dishes containing pure TR:TREATMENT_SUMMARY motor neurons for our studies to avoid confounding results. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Control and mutant iPSC-derived motor neurons were incubated with 21.25 mM SP:SAMPLEPREP_SUMMARY U-13C glucose (Cambridge Isotope Laboratories) and 2mM glutamine in 50% DMEM-F12 SP:SAMPLEPREP_SUMMARY (w/o glucose, Biowest, #L0091) + 50% Neurobasal®-A (w/o glucose, Gibco, SP:SAMPLEPREP_SUMMARY #A24775-01) for 1,12, or 48 hours starting from day 30. Concentration of glucose SP:SAMPLEPREP_SUMMARY and glutamine were comparable to normal culture conditions. Then metabolites SP:SAMPLEPREP_SUMMARY were immediately extracted: cells were washed once with PBS and 150 µl of SP:SAMPLEPREP_SUMMARY ice-cold H2O/acetonitrile (10:40) was added. The cells were scraped, collected, SP:SAMPLEPREP_SUMMARY and vortexed for 5 seconds. Finally, the extracted samples were then centrifuged SP:SAMPLEPREP_SUMMARY at 13,000g for 10 minutes at 4°C, and the supernatant was stored at -80°C SP:SAMPLEPREP_SUMMARY until analysis. For each cell line, 6 separated wells were used as technical SP:SAMPLEPREP_SUMMARY replicates. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Samples were analyzed on a Thermo Q Exactive Focus Quadrupole Orbitrap mass CH:CHROMATOGRAPHY_SUMMARY spectrometer coupled with a Thermo Dionex UltiMate 3000 HPLC system (Thermo CH:CHROMATOGRAPHY_SUMMARY Fisher Scientific). The HPLC was equipped with a hydrophilic ZIC-pHILIC column CH:CHROMATOGRAPHY_SUMMARY (150 × 2.1 mm, 5 μm) with a ZIC-pHILIC guard column (20 × 2.1 mm, 5 μm, CH:CHROMATOGRAPHY_SUMMARY Merck Sequant). A total of 5 µl sample was injected into the LC–MS instrument CH:CHROMATOGRAPHY_SUMMARY after quality controls in randomized order having every tenth samples as blank. CH:CHROMATOGRAPHY_SUMMARY A linear solvent gradient was applied in decreasing organic solvent (80–35%, CH:CHROMATOGRAPHY_SUMMARY 16 min) at 0.15 ml min–1 flow rate and 45 ◦C column oven temperature. Mobile CH:CHROMATOGRAPHY_SUMMARY phases were aqueous 200 mmol per litre ammonium bicarbonate solution (pH 9.3, CH:CHROMATOGRAPHY_SUMMARY adjusted with 25% ammonium hydroxide), 100% acetonitrile and 100% water. CH:CHROMATOGRAPHY_SUMMARY Ammonium bicarbonate solution was kept at 10% throughout the run, resulting in a CH:CHROMATOGRAPHY_SUMMARY steady 20 mmol per litre concentration. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um) CH:SOLVENT_A 100% acetonitrile; 200 mM ammonium bicarbonate; 0.01% ammonium hydroxide CH:SOLVENT_B 100% water; 200 mM ammonium bicarbonate; 0.01% ammonium hydroxide CH:FLOW_GRADIENT A linear solvent gradient was applied in decreasing organic solvent (Solvent A), CH:FLOW_GRADIENT 80–35% in 16 min at 0.15 mL/min flow rate CH:FLOW_RATE 0.15 mL/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Focus MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Samples were analyzed on a Thermo Q Exactive Focus Quadrupole Orbitrap mass MS:MS_COMMENTS spectrometer. Metabolites were analysed using a mass spectrometer with a heated MS:MS_COMMENTS electrospray ionization source using polarity switching and the following MS:MS_COMMENTS settings: resolution of 70,000 at m/z of 200; spray voltages of 3400 V for MS:MS_COMMENTS positive and 3000 V for negative mode; sheath gas of 28 arbitrary units (AU) and MS:MS_COMMENTS auxiliary gas of 8 AU; vaporizer temperature of 280 ◦C; and ion transfer tube MS:MS_COMMENTS temperature of 300 ◦C. The instrument was controlled using Xcalibur 4.1.31.9 MS:MS_COMMENTS software (Thermo Scientific). Metabolite peaks were confirmed using commercial MS:MS_COMMENTS standards (Sigma Aldrich). Data quality was monitored throughout the run using MS:MS_COMMENTS an inhouse quality control cell line extracted in a similar manner to other MS:MS_COMMENTS samples. After final peak integration with TraceFinder 4.1 SP2 software (Thermo MS:MS_COMMENTS Scientific), peak area data were exported as Excel files. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples WT_73_1h_1 WT_73_1h_2 WT_73_1h_3 WT_73_1h_4 WT_73_1h_5 WT_73_1h_6 WT_73_12h_1 WT_73_12h_2 WT_73_12h_3 WT_73_12h_4 WT_73_12h_5 WT_73_12h_6 WT_73_48h_1 WT_73_48h_2 WT_73_48h_3 WT_73_48h_4 WT_73_48h_5 WT_73_48h_6 WT_89_1h_1 WT_89_1h_2 WT_89_1h_3 WT_89_1h_4 WT_89_1h_5 WT_89_1h_6 WT_89_12h_1 WT_89_12h_2 WT_89_12h_3 WT_89_12h_4 WT_89_12h_5 WT_89_12h_6 WT_89_48h_1 WT_89_48h_2 WT_89_48h_3 WT_89_48h_4 WT_89_48h_5 WT_89_48h_6 MUT.49%_80_1h_1 MUT.49%_80_1h_2 MUT.49%_80_1h_3 MUT.49%_80_1h_4 MUT.49%_80_1h_5 MUT.49%_80_1h_6 MUT.49%_80_12h_1 MUT.49%_80_12h_2 MUT.49%_80_12h_3 MUT.49%_80_12h_4 MUT.49%_80_12h_5 MUT.49%_80_12h_6 MUT.49%_80_48h_1 MUT.49%_80_48h_2 MUT.49%_80_48h_3 MUT.49%_80_48h_4 MUT.49%_80_48h_5 MUT.49%_80_48h_6 MUT.52%_56_1h_1 MUT.52%_56_1h_2 MUT.52%_56_1h_3 MUT.52%_56_1h_4 MUT.52%_56_1h_5 MUT.52%_56_1h_6 MUT.52%_56_12h_1 MUT.52%_56_12h_2 MUT.52%_56_12h_3 MUT.52%_56_12h_4 MUT.52%_56_12h_5 MUT.52%_56_12h_6 MUT.52%_56_48h_1 MUT.52%_56_48h_2 MUT.52%_56_48h_3 MUT.52%_56_48h_4 MUT.52%_56_48h_5 MUT.52%_56_48h_6 MUT.54%_84_1h_1 MUT.54%_84_1h_2 MUT.54%_84_1h_3 MUT.54%_84_1h_4 MUT.54%_84_1h_5 MUT.54%_84_1h_6 MUT.54%_84_12h_1 MUT.54%_84_12h_2 MUT.54%_84_12h_3 MUT.54%_84_12h_4 MUT.54%_84_12h_5 MUT.54%_84_12h_6 MUT.54%_84_48h_1 MUT.54%_84_48h_2 MUT.54%_84_48h_3 MUT.54%_84_48h_4 MUT.54%_84_48h_5 MUT.54%_84_48h_6 Factors Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h 1-METHYL-L-HISTIDINE 5784805 4786783 3832967 3809762 3922104 1703543 2773639 4824926 5734186 3827949 4283954 5535484 4111470 5420966 5327516 7223476 4691792 5105937 5492776 5619491 5643524 4725060 6615560 6245074 5994885 6496834 9751961 8987595 8591956 8212186 13782689 7293732 8156314 16765330 8365390 9741154 7289615 6359983 5013628 6009424 5298020 5278987 9805493 7469972 6481796 9488106 6494963 7263895 7336388 17543140 13100938 8164807 8933632 9565559 7566796 3643438 7807300 8308872 8184845 7011453 7876613 6841657 5991547 10889014 8263921 6547218 11275111 9510761 8798284 9310934 11771857 12708003 7239623 6895359 7329788 6715681 4953841 8763167 7455217 7344836 7743575 7523589 6443146 10940955 12266755 7138300 12428904 9604578 9075160 9951234 1-METHYLADENOSINE 980250 846153 216781 480370 163363 522440 602908 1086719 707729 323148 619479 771352 333179 211433 376970 226132 180425 122826 456405 403200 1761189 710930 822284 1315489 895873 1405822 1559886 2061857 973962 1885309 876997 467168 416792 2131424 663720 362379 423522 806818 402227 867369 591590 886731 1882668 496665 612104 986649 619803 1302115 306181 438738 315449 614734 570849 314250 710192 922590 616637 833502 61478 444464 540440 842420 733451 421744 351621 730935 364143 797505 173494 764127 269287 607072 453445 452985 402694 269517 2161562 1178645 663921 557763 880236 463903 968478 2528519 667875 786351 1272239 473849 996536 797906 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE 219609 64795 134582 144932 40890 23391 33886 102285 96502 72446 32684 246632 30004 92191 24465 58561 45643 24176 169136 67275 176067 38253 41055 70432 46162 34948 74222 32849 56882 73988 117767 125529 29349 69797 95260 2-QUINOLINECARBOXYLATE 124049 91924 64519 121063 59527 140210 141521 49377 55319 228450 27878 39831 33049 48271 104929 33989 20256 132397 902948 286879 709673 1265935 1143965 1211509 81784 47911 46915 105236 56827 88837 55516 44852 132761 38122 49254 131142 435313 131603 176819 656717 385680 241911 59661 70277 52937 47700 94030 39562 77735 61925 50045 38304 39836 595740 784078 859897 1303555 1396653 1649534 35218 109657 74251 70531 172593 165835 294852 44039 61285 41855 42622 92285 116379 287611 197582 326305 466276 32681 51425 42311 40247 27883 24099 85184 74953 40716 29371 2,6-DIHYDROXYPYRIDINE 56638 135596 44952 81657 102000 22743 35540 55131 216559 129024 54035 69529 59502 67972 120164 460919 83782 191471 49735 49855 122963 122373 81778 134159 121445 246645 45615 3-HYDROXYPHENYLACETATE 1737308 6102135 10310446 10042384 17254114 8504093 8325551 1730860 1785235 3745664 8629962 11316552 10918327 4136258 4510681 6429128 7726685 8059041 9940677 10546847 9871385 2144033 8868759 1552660 17564310 8396994 2443922 1615917 16018872 9575441 9782802 15899715 8164195 9110297 7107190 19009881 17108656 8179693 9458778 10646886 3011489 5178042 2583988 6640081 6825229 12966383 10603055 9407391 16899206 11406784 8967227 2338457 9262762 3958949 13010197 3948503 2974551 6955793 7557273 681636 306927 9843127 8721004 9343535 10190095 9712825 8632695 8346303 3-METHOXYTYRAMINE 1185591 1531208 790759 3-METHYL-L-HISTIDINE 330256 221598 118609 267001 98750 280118 1173278 407301 731845 452080 133109 136087 517516 79648 644173 444925 31983 311832 340627 175132 592695 465647 90390 482763 147414 259032 826311 978290 1138445 49510 77310 39957 73919 131172 70630 311880 342272 277264 455799 707491 586039 199415 78428 140389 32926 78290 343347 190806 1013206 345884 36164 47828 206156 1538558 728441 88118 662147 270430 272862 572289 617445 183817 71038 975251 157831 662868 1605729 268990 256832 3-METHYLADENINE 58488 52949 57577 37146 29084 27895 63212 60681 43575 36064 25539 37426 92313 47035 46075 31112 34757 68615 68715 86227 34946 34027 128806 43750 40228 37382 46371 36433 97284 70728 71907 97313 36365 63566 27403 64165 41977 26561 37347 38089 38589 64057 43069 33825 59968 36282 34422 33884 25510 29662 61795 27234 63633 33303 48466 28558 27479 40315 30830 66601 64042 34632 3-METHYLCROTONYL-COA 29787 28352 58649 75340 118894 3-SULFINOALANINE 1307898 754109 663021 510830 853144 375853 25658 347042 797748 1042090 334926 620414 816791 53987 603364 280438 421593 641532 425527 578386 38716 29202 1158669 1306382 1624689 684253 531703 623166 45224 284493 442158 202453 402415 663056 529944 43852 34924 44601 3/HYDROXYKYNURENINE 110272 37893 25588 28559 21740 22744 26655 27857 31025 25538 4-ACETAMIDOBUTANOATE 10819162 4-GUANIDINOBUTANOATE 670995862 548101487 578366927 510397036 424729978 405268611 294601749 501032033 472728664 674778613 373771810 365944236 437891206 437199126 571125829 710733973 427503845 468664418 446869125 435715975 614309333 576548502 538982828 722670799 391633970 383257519 479088432 397923795 473849495 461636623 689767425 427763971 476739204 779047394 462888536 496760463 557839237 561005967 507277003 485790152 408919715 492445109 535115849 416745951 397598931 516747532 386684958 423381962 494858876 911681475 867912039 491609752 507334124 594699981 574650326 769501290 642624741 613960004 511671820 568638864 505251558 401874085 504907546 549888349 464816984 642927845 678326947 605273592 562060472 608499907 667797067 769036662 671113347 684273946 597245427 632623543 829087153 711326471 491788278 470328781 500314755 498826818 511670947 925662435 814464466 720925081 853736288 762901422 587816276 634815842 4-IMIDAZOLEACETATE 443468426 398534818 292032737 362923400 368255683 277669546 472620270 841939120 806818620 1104285055 681535302 659411032 691761197 776453035 945241014 1226132484 886802734 897176130 364093524 423393380 237586640 354297278 447664539 750445244 790402636 928143361 695400789 998277459 915254106 1315673446 918046930 918292234 868687734 890814904 393708515 434184941 328803936 393394009 407810023 388466974 855620588 821726239 737570776 1006385734 839688948 846965007 826758086 1416506959 960614050 1084480052 1131500222 314186225 548999720 598919862 472167573 438803731 345695032 838001777 808860984 826385868 982567827 858911596 1107989805 1187384623 1114233850 964610068 1014788866 1242888037 1160391230 327922906 386558623 288189088 308485533 461778887 377023215 748295390 751528804 713013180 739791199 791033210 964951886 944893300 1045787820 992293173 832948078 822219482 4-PYRIDOXATE 212104 311273 112640 59961 104165 46487 40004 180955 276643 194762 195198 221254 57189 123338 364087 357424 97821 304147 318921 376766 154990 62334 113024 251981 230085 833627 272344 367798 76261 92735 62845 702779 357394 76490 139119 185957 193964 276141 168649 215841 630725 264798 200078 243282 175390 238026 352702 378011 186996 691162 455010 265670 1086051 218722 486020 280788 334489 322200 57740 244201 200854 272690 255123 491130 471032 338977 56679 312943 603631 87562 224208 238230 301627 284482 371174 152505 307194 81012 307818 346474 468021 383566 380800 482057 4-QUINOLINECARBOXYLATE 124049 58851 64519 121063 59527 140210 141521 26403 55319 35508 27878 22302 33049 48271 104929 33989 20256 23064 902948 286879 339821 1265935 1143965 145372 47911 48684 33824 33850 55516 27084 37456 26056 49254 131142 435313 103994 176819 656717 385680 42775 55935 27634 52937 85265 39562 25316 29014 37734 38304 39836 291365 219690 859897 1303555 1396653 1649534 27388 28789 29110 27746 60120 49666 287210 61285 41855 42622 92285 116379 97484 150281 111943 466276 28990 36556 42311 40247 25938 27883 24099 42932 35200 25729 29371 5-AMINOPENTANOATE 11998420 9109935 8991744 8043210 7353263 7511738 27404088 31756909 32011195 33461520 27727654 27134201 13359799 14116249 18117497 17599811 14040444 13700490 7153275 7526849 9097251 7741083 10262800 9890117 28733052 30179112 34424177 27534709 31505991 31723410 15551646 12719248 11714507 14333130 10912621 11282401 9738026 9220658 7862505 7850950 7036255 8295286 34807366 35992573 28740537 38868081 31261026 33334604 13001134 14685862 16639133 11113194 10554128 13170954 8424684 9793641 9032929 8115655 8575896 32013771 31018168 37827890 34272964 30123905 37333221 13230151 13243226 13023880 13804377 15751823 13720929 11235499 7926885 8655121 10396769 11281410 9982954 30495851 28127190 29087904 28896438 31604044 41444936 12962793 11324155 13322530 11521776 11425820 10187431 5-HYDROXYINDOLEACETATE 17271 16418 9994 9710 19085 12068 13345 33889 14440 13241 17253 74088 89253 13365 66161 21925 18816 138662 13916 16610 64534 27211 48624 11819 17411 63330 14319 5-METHYLCYTOSINE 6235186 11282386 13306287 13314347 11198362 13558629 11327446 16517694 12737380 13199623 5-METHYLCYTOSINE +1 134086 248338 342957 121203 124011 390454 179053 90703 38577 43510 83259 95940 71262 21549 146197 129043 41361 593714 20847 37008 126046 131358 107230 231325 60020 417443 74566 221414 34268 417112 73747 108988 30998 38509 50452 321817 20746 171254 290236 134447 324772 209369 113524 29523 19493 103307 47030 58461 714984 64143 227633 384639 73372 190392 95033 104806 256921 146593 105740 537798 51761 22755 39076 358462 545765 427869 290986 36828 489813 262776 47510 85217 189932 41123 102543 133357 153848 666798 387567 415503 32664 646341 728506 5-METHYLCYTOSINE +2 19293 5-METHYLCYTOSINE +3 11116 15291 22137 20472 16330 17499 28089 5-METHYLCYTOSINE +5 35289 5-VALEROLACTONE 8646235 5457670 9928834 9062711 13714504 29590529 4499940 5722728 5315367 6279962 5'-DEOXYADENOSINE 142644 184039 78508 126673 115380 115612 62125 411964 387338 223230 207680 81710 142371 182852 235373 205852 49219 71162 121865 138552 118350 152908 219297 366239 181564 203049 221206 194393 120491 82825 85296 173815 271012 133524 59678 148367 91098 43255 70446 133641 70589 110867 105744 318236 225586 241798 327028 111792 669137 120496 84662 159792 273040 115084 132585 550267 203965 150084 210961 464280 541288 160459 326722 631399 116861 90201 135660 257005 133847 238995 90628 202913 336533 90219 220806 152071 233602 135026 283611 114430 168915 201114 269079 135761 236891 163374 125480 82971 190943 ADENINE 200609974 200079391 201878985 159430169 177756699 169967091 211014195 277855269 266019944 334984266 273640020 277694812 188349038 221075766 185024229 262464959 189822044 211896457 198227822 229366843 324515749 227016298 197796323 299855590 337340216 386231331 414979272 450481121 311915721 344433327 369617563 221832432 242488691 332430529 244657584 220588871 233712186 219964124 206672623 249403504 214069402 241401227 371088704 271931859 291862894 406517544 333696946 362127517 197323630 254972283 282255642 229989272 246582110 293774643 412613769 350623016 206900184 209244095 256777670 268291792 341053226 299776576 392302303 249820193 295029167 379478844 274464404 300379720 239692043 250638501 211180181 279621852 283325269 304594154 278016544 327409334 460328254 255977570 292967037 297408135 373738730 333587049 353581456 469106661 229007699 228975207 320570676 287182120 238630774 280904092 ADENINE +1 11058614 9784455 9820338 8068606 8850768 8411003 11681369 14879300 14569044 17820653 14339515 14413951 12869295 14913250 12422914 17833657 13414490 15580568 10109159 10860744 14912228 11120752 10548239 13683997 17766354 20433311 21753864 24495956 17638334 18366732 27171644 16238073 17688221 23310397 17485295 14964626 11458665 11178932 9824118 11827156 10844295 11489154 19670159 14673921 15990918 21668426 18420537 19960475 13551419 18865442 19736238 16808242 18308677 21840464 19976857 15824350 11234546 10020793 12701418 12550099 18412582 17016224 21219070 14121213 17074261 20442162 21399485 23456447 18302295 20021050 17301336 21379048 13935290 14918719 14113903 15533013 21718905 12896737 16635324 15828191 20592219 17860236 18799049 24349823 16756823 16516496 22282739 20749312 16654561 19507123 ADENINE +2 393835 458191 237877 401315 390766 438456 141805 191186 168182 799409 276074 546183 681389 539562 539540 99248 371915 469120 252605 635602 716448 848021 102728 767265 893747 906352 853233 670363 1130031 169734 165394 256077 523625 736721 379335 301396 668322 ADENOSINE 53499825 30988691 47746184 34892229 22818633 45141467 26101284 18619789 18279510 23357709 23992365 17821096 10751460 24263841 16437283 16958761 24710251 41860171 86187865 59099942 58310415 55711858 26321881 27695894 33016905 22228220 26450100 28967421 29612839 23497729 16155335 34321885 14203290 57127767 41728373 35238751 39885470 68991258 65569100 38704088 30828109 26960021 25626403 22970819 18585083 26723881 19218110 16669931 20980139 57419544 69482396 47057952 47786945 43661441 50831526 31292911 22384123 32070095 22804183 31678803 33489008 18346820 19766149 13696632 13395383 12613161 19629955 57207084 38084861 46986463 46580264 58360433 31398263 25060051 25314235 29393584 50722230 17870503 19370160 22946086 18517050 18109859 17178074 ADENOSINE 5'-DIPHOSPHATE 74446062 58518126 45296809 45624493 46403539 39072833 66343498 97153092 70959736 118359309 52720475 45582464 18458223 34325449 52719059 50852916 39285535 40566766 54288380 53487254 54782100 68078780 66951059 118905630 55796639 57935533 52932487 59659381 67403694 76955488 55407514 43831225 43717447 84494210 40468868 47698515 63842799 60027459 53501720 55030633 60949116 54301077 91714312 56590517 53432732 66305367 51008245 55879884 40521099 83725447 66724776 44984742 56459519 48884238 84274100 69728964 80501292 55244263 45964325 53465971 47821806 49859358 50254369 63460757 48127621 84687460 46985161 50838168 38560419 39556739 55736550 47306814 60192041 72205690 67053326 57967284 87121376 75197172 52825494 51514304 52536954 49722139 52591474 180649640 66936909 50496596 60596722 53834475 46642931 46298590 ADENOSINE DIPHOSPHATE RIBOSE 164076 44015 136285 31582 58576 75993 121539 165825 83551 117332 245287 125977 311898 204047 122162 150329 93167 213937 148487 107838 182528 63256 79746 33363 51885 43841 77906 123725 140445 72660 88360 147339 127246 166086 61241 131661 241602 243591 22177 73958 193056 176243 46803 170403 79354 173023 76527 72454 145397 96947 344920 97022 50110 75347 27994 59952 245309 56743 50260 ADENOSINE TRIPHOSPHATE 242191199 152159365 106684380 115659772 97141754 96762010 82077617 145580694 138955869 173190936 85482007 101076334 43611584 58159109 75098646 77303254 53136667 51833943 114371085 134283218 203118107 188777813 179104433 233368255 110168642 111789993 136057037 124454079 176919179 176293070 112215121 53531485 63073466 117322826 63562398 73482386 163366053 137268462 132248925 137591891 140892057 137955009 154329376 133076388 105946771 151002904 106916099 112739690 66668267 139797437 107405699 65764313 75723313 75128654 192370075 228049908 243952322 167430572 155541904 157952986 120705430 116798241 136414953 172888237 134246235 193309182 76598748 80829979 64290463 72790411 100171576 85934115 144562595 163711327 146202522 167999557 242660422 211923591 115022404 105241340 122354093 113195981 120934836 264099350 101445302 73836693 104736815 85632211 66668976 68189151 ADENOSINE-MONOPHOSPHATE 6722966 6942674 5164699 5798654 6842436 4923292 16521726 18314703 10732966 13283202 9263060 6118715 3123820 5698002 13710191 8495955 9950021 10648256 5727521 5810905 7323046 7097615 10577861 6962053 6691287 5326757 6200098 6787516 7817145 6889354 12200112 11049254 15685674 11503637 11800068 8438722 7603178 6433309 6901915 6195091 11085903 6723632 7136016 6305799 6058175 6015601 7426434 17111973 13786175 11727212 13374266 12467986 11337990 6958900 7216082 6322921 5697806 5685291 5140749 6017708 5743832 5925404 5888040 8190909 10253434 11120930 11626745 9766432 13273097 9822787 7755911 8654945 7002348 7091571 8030931 5173484 6374510 5585737 5821871 5836006 17517136 13454100 11389741 10413929 13287533 11098342 10830430 AICAR 14351 29621 24692 23300 25134 18211 16528 34990 20875 13910 52822 25238 15589 18430 30269 31375 19268 17843 15243 49742 12699 21050 42381 21028 16816 19390 28699 35177 92677 77800 23175 12475 45360 23154 33161 30131 33490 50415 61380 ALANINE 260993610 206164153 188853260 181238798 157116230 163165436 130256364 191035924 211282354 239393200 163598739 177511030 180085088 179714469 210049126 247791828 166934630 177519366 169232956 180772501 225877715 223739990 216114954 262105661 188894811 178634206 218123334 217652198 218174145 226665909 263558197 166062546 191459296 281875872 182592364 206178877 250292238 217506975 210562468 217534483 191159800 201136372 221679933 204589845 204337724 233486326 181697160 191941260 208236921 320617015 303704538 230643698 204840171 228779796 237615230 247495968 217126603 208327301 190204498 217159072 194863307 178282365 202151234 225552720 193381411 232436004 227493694 219399641 210351522 214322732 236664237 256459752 230813781 234615982 217044136 235485895 269753678 249627695 209424835 199084107 223828256 213411576 214901878 291837295 253782376 228924857 270958118 241224736 211740254 220819043 ALANINE +1 6360398 5220613 4722714 4468347 3553545 3896150 3673090 5218544 5574605 6364281 4568846 4647780 5748911 6048783 6461779 7793129 5418723 6263251 3994364 4440470 5772160 5729644 5567952 34772 5410219 4774731 6292477 6514724 5940122 6375471 8200675 5279011 6899090 10866802 6480676 7673164 5650808 5054494 5272700 4834262 4793133 5076537 6778854 5667516 5966840 5679105 4999880 5578855 7483083 11370453 11078562 8696270 7398551 8807884 6406215 5554536 5508048 5142299 5180017 5058170 5655795 4822751 5193183 6158667 5666536 6920551 8496320 7828566 8980165 8508669 9031166 10664670 5511460 5675902 5413760 5545891 68206 6215840 5655443 5626970 6015079 6256037 5679184 99213 9179397 8555865 9401852 8649983 7899872 8822203 ALANINE +2 277260 89934 224048 166492 81441 77755 1360794 1488362 1937344 1552931 1207083 1086343 3915606 4289133 4690034 5800896 4064365 5043059 271556 74644 65500 116746 93140 213665 1613548 1507067 2232155 2541423 2391751 2038796 6928954 5001244 6564406 10369923 6406458 6327929 86637 102381 290135 220459 204401 283898 2801091 1704404 2764124 2467559 1758838 2304580 8037064 11658928 11285930 7961402 8295612 10373870 198479 524848 185105 204423 146609 300385 1447937 1717666 1797008 2340421 2850502 3237182 8976038 8313705 9336957 9985630 10604712 11656008 229324 137039 79798 91145 132536 2106318 1583068 2561473 1781231 2133770 3383866 9482229 8035157 10916219 8907475 7000512 8447869 ALANINE +3 16841051 12451822 11524740 10720429 12270320 11426423 28539757 34923827 42884877 40626999 29910182 30172030 74568217 85253399 100874052 112899715 78540910 96382109 13658456 11867319 16494049 13973631 14943273 82545 33643995 33352052 46876671 58407891 43671374 39977476 124283904 98631353 125320238 189088194 122457770 117242558 15689385 14115049 12030639 13798246 11145923 12690670 59393646 40328033 47243558 48867817 41665079 47518312 159885410 215859735 219781724 159188471 168053307 210812499 18754023 17863526 13118490 13660347 13552024 13733282 38811198 35502361 38011568 45864919 42621462 55705671 187837181 177191152 176599622 195314036 199636386 226749599 13221042 14528099 13689301 15745058 15728819 15655910 48287881 41089027 46471634 43859177 42374362 110215 178997369 163054167 191131548 178561920 132509322 172679666 ALLOTHREONINE 2347909882 1831591492 1979406389 1393014162 1450870895 1657394612 1114620511 1569898010 1874725212 2360610898 1459632716 1508605376 1323776666 1529744864 1759132820 1971951005 1371522392 1541998660 1935370332 1762993653 2214703962 2410244353 2025835341 3136633486 1715432638 1932345918 2050785161 2951870518 2253942888 2508455267 2578399738 1468228623 1702347283 3059475458 1665823595 2004255552 2017764908 1897388705 1931401521 1948637552 1726298405 1748562007 2794732371 1736919819 1771965992 2224101290 1638063726 1927058043 1728949908 2702023260 2411826029 1870687114 1855262733 1936236305 3762389684 2447951855 2238099740 1823807731 1680990193 2194519529 1517756706 1547681369 1856342692 1842476072 1772888713 2633583829 1949911807 1932062878 1782787860 1736548340 2221325656 2083487859 2003669852 2151495778 2130148497 2008915304 2650564963 2465389575 1741953001 1747959765 2264865563 1745448586 1863893719 3243798779 1926994717 1675165724 2139178865 1830774184 1747651157 1962666475 AMINOADIPATE 6401187 4863467 1876233 9337727 8168705 14102987 11084677 7160340 4456772 7473570 10621560 3701794 7365947 14097873 6140472 7825049 5825617 6400986 5182789 6072296 9389126 11392148 19106323 6611434 3357217 7777805 6621307 6357585 2712734 2233951 6624683 3583332 3152459 5987655 3102737 6427811 3187500 4631520 8429008 3589779 9376887 6771701 4866607 6286413 ANSERINE 43154 ARGININE 3829592493 2583251876 3304513749 1980310585 2148227970 2653183667 1807538803 2933269233 3265258466 4179528673 2177957146 2733076055 1823827221 2611060336 2409252550 3354481658 1801375091 2380864872 3278707638 3106536461 4582283738 3733603993 3356049449 4298287701 2871265267 3914454689 3811167086 7091392408 4009017003 5025816553 5017289235 1872834000 2537981685 5973294808 2462811596 3017301855 2358408945 3144788458 2788657668 3125640973 3251886896 2618479466 5774051560 2994811095 2628471946 4306114547 2682701840 3469793056 2325766132 4121627878 3033153584 2506027533 2859657760 2552720114 10096364715 5223637505 5496362659 3196637726 3015294448 4845342270 2965986503 3424789116 4352713662 4560395463 3443591643 6710279027 3143921457 3526481816 2894800520 2805565576 3794742962 3667095276 2959780255 3620700006 3584667455 3304257630 5275749734 4308110010 3412782094 2882892219 5093891171 3249289297 3645825954 8396100325 2585472334 1960992767 3641699399 2374552922 2737916577 3270063257 ARGININE +1 216576576 146719906 192812618 107588657 122143491 153581460 99814407 163494268 188040242 244366770 123435139 158681158 101294727 148486008 138624916 190047220 99889184 134028602 188009830 179086465 273112608 220633296 194865175 250240761 165240469 223541570 221641867 407092186 232904423 295961338 289201992 104867854 145591542 345902537 139026221 173404375 136272199 178206268 160385011 181692674 185096046 154542422 338835879 173427318 154937721 249232629 154627644 197141508 132367198 239381400 173415556 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1071250 908056 1033900 994523 979240 828264 1187178 816830 928166 748302 1532791 1203657 731844 839818 853025 1398628 1400636 1365777 1058600 902380 1118382 1015965 903817 1163516 1216420 1090415 1369819 1018683 838450 786115 805067 897089 941377 1203670 1457819 1312484 1434062 1837508 1563784 1066278 1065065 1424397 1111572 1252291 2001030 1304825 1094094 1524632 1160492 1044703 1023999 CREATINE +2 31679 58629 67891 62621 43204 75275 58120 64675 CREATININE 42821521 34621729 34397595 31288387 30761299 28074539 20921760 33182789 36119365 41079345 28838233 32413089 30538929 30573184 56218851 46160782 26426338 33801551 32642657 37220721 60351729 38733989 39319769 42036289 34740890 39247717 50045228 41926975 37780341 42125180 59533364 31682330 36896719 49347047 36489640 37481786 40654248 37729876 34434960 38535862 32999584 37774083 36989280 34135003 32079216 42514212 31939087 33677993 34538444 47635128 55764398 34408636 36470717 46451625 45628314 64197925 49996948 40416621 216303220 46811673 38775553 36730789 43295692 41363679 34296327 43448707 53441722 45329898 38896296 45224261 41800041 55864885 48879431 62151054 51426170 102212701 68976871 65937373 36551257 38085760 43107080 39063528 44622452 47149946 58349228 53993775 70304158 58861377 46172110 49349284 CYSTATHIONINE 7639716 3352443 3786241 2320628 1736558 2643125 1451309 2052970 3356695 2660453 1182743 1638852 2036926 2623243 3670848 3561831 1899109 2517857 2675903 2394409 6176040 6118254 4674144 9395936 1914949 1676573 2994707 3271017 3184603 3221393 5365063 2352417 2749594 6040052 2522880 3093545 7566277 4252271 5996228 4189273 2626549 3950698 4491294 3281370 3107432 3500405 2229144 2743361 3804084 6965158 7140411 2982517 2968797 3909417 8414021 6455329 3498309 4418451 3547447 5029223 2148374 1934326 2432878 3373699 2426670 4658271 4253675 3350184 3304303 3929420 4997099 5195581 4949024 4675478 5406841 6103640 6666226 7556813 2901469 2251842 3028600 2503961 2416555 6127654 4361653 3062911 5124269 3837427 2511165 2872995 CYSTATHIONINE +1 484743 174025 183209 61752 104673 86391 112977 152623 110862 57084 68268 45879 338670 310204 273101 605466 46697 167898 210368 103338 117867 302133 59042 209718 412771 95303 142578 441560 120969 278029 216848 138470 223731 201367 151414 106331 128852 86949 124080 231811 487786 304716 216452 165119 227979 526790 314596 79362 97638 134318 262877 125889 54036 74291 245385 307257 96401 134491 293611 337270 340549 222294 232755 262718 313009 330949 506629 76250 48402 104679 61016 353440 284011 125312 337801 198621 64423 113805 CYSTATHIONINE +3 407022 CYTIDINE 44536401 32902203 32367817 26307542 27117572 23872585 24554608 37633190 43604032 57878072 32637659 34643340 33818241 39207757 39682970 64242801 35891543 44837315 35122520 37820086 42501870 43948211 39610861 70467949 41583650 47538913 56320129 60832721 51647015 56778876 98789688 47983314 54801940 101726404 49816082 59166347 43901359 38428613 36994004 38533856 34061303 34083215 70904554 48130955 46290411 60838075 39668935 42370868 49898901 98609793 91451945 58158791 62556342 65590963 50918454 51663940 42785522 36514707 34255078 40540878 40199856 33669307 46260844 46398192 41022910 69064417 64667305 67133247 52332663 50278169 65623014 74325822 43372811 45540516 41916209 44187226 60031669 45503246 46578860 46143469 55485830 44905423 46372581 90375716 76880640 66732471 93077865 71363046 67807240 72621548 CYTIDINE 2',3'-CYCLIC PHOSPHATE 585377 15530 198049 204925 257626 11717 37392 14922 26128 14479 393578 866967 735766 602829 17345 17610 12990 15839 12565 402266 270521 79612 119909 519495 690069 164517 18520 19506 232424 425281 689513 475726 321170 288825 93558 51371 15437 97838 20588 15609 423161 86506 258360 583224 214474 72980 32113 49269 CYTOSINE 71123 294534 D-ALANINE 259504704 205208136 187389644 179489799 154432817 162577724 128455620 188840429 209658484 237758344 162402800 175730532 179009755 178197435 208164359 245771761 165455966 176754446 168279399 179317699 224393196 221374388 213485140 260785083 187482256 177132975 215974133 216233628 216283261 224679951 262228763 164978881 190402763 281194110 180640302 203548948 247934271 215766076 208786664 216351751 189688864 199687950 219902813 202929594 202716179 231425747 179717008 190617556 205912778 323785485 300190795 226694140 203481637 226487873 236461968 244974320 215146744 206776179 188192459 214143410 192862096 176048899 199876351 223058565 191524579 229725383 224639867 216568279 207580263 212220849 234463954 251547392 227881406 232652794 215511211 233633528 268024782 247530371 208017799 197802183 221978007 212873795 213176907 301235084 252434684 227164468 268720034 238887789 209693258 219873697 D-MANNOSAMINE 1223629 2458460 4004695 5582785 4150004 1679725 3117952 4260959 2042230 2844937 3079553 2645532 13246779 269583 2715118 2762737 3113399 2859156 2487586 3016416 2429656 2751065 3253013 908498 2249441 1831367 153413 1365837 267793 1823785 3296628 2457658 3136876 2677881 2531403 2395652 2859119 3178143 2629858 3373576 2569765 2500366 495191 1883208 128609 77939 15788771 1943328 2809232 1648707 2731447 1629610 2668433 5583345 2392603 2736589 2549491 3634598 2317559 2451308 86118 132546 70823 231347 98584 2452191 1217879 2575278 3098999 2517011 6313303 2643694 2222867 2984215 2210589 1963011 3185413 DEOXYADENOSINE 142644 184039 78508 126673 115380 115612 170513 411964 387338 223230 207680 81710 142371 182852 235373 205852 58084 61596 71162 121865 138552 169502 152908 219297 366239 181564 203049 221206 197368 120491 82825 77384 173815 271012 133524 59678 148367 91098 133910 79747 133641 70589 110867 133968 318236 225586 241798 327028 111792 669137 120496 154243 159792 273040 115084 132585 550267 203965 150084 210961 464280 541288 160459 326722 631399 116861 90201 135660 257005 142722 238995 90628 202913 336533 90219 220806 152071 233602 135026 283611 114430 168915 201114 269079 135761 236891 163374 125480 82971 190943 DEOXYADENOSINE MONOPHOSPHATE 19837 75581 52095 70376 56608 25482 67218 107819 89142 22007 94674 96904 88668 79971 70688 DEOXYADENOSINE TRIPHOSPHATE 35994 16618 12265 13827 13263 14079 41556 64269 106842 13966 16777 20716 68371 22062 34088 147213 15631 40047 52736 33931 87387 29011 16403 12462 40764 72061 37252 49352 47188 18701 15692 102230 53500 19864 15605 13005 145470 225616 219171 122995 45018 52660 152654 117246 91531 246279 179544 233066 22541 32612 15868 14906 16384 13259 18638 52350 96613 74479 165950 62352 18585 27319 20777 51467 48563 255594 14138 18758 16502 DEOXYCYTIDINE 75353 316257 68268 96320 42036 91860 48775 79358 66171 340849 30281 165586 160046 85681 81742 454575 470932 59200 62352 90089 273602 66486 115922 50154 108667 72842 72520 351951 554398 118793 185235 135432 106152 115999 56688 320801 189032 46304 218793 189599 482581 104001 72769 80308 175435 278452 85828 60366 DEOXYCYTIDINE MONOPHOSPHATE 1173520 695072 463516 539875 504981 379042 315638 618371 851577 905628 433960 438293 151971 68622 495951 525005 271726 283618 508747 714765 969901 1024932 975470 1296846 517709 519618 679566 727017 815016 955500 781727 253158 304212 827873 429495 507044 757162 646583 503929 549195 550322 657625 612353 611027 499086 784322 464091 500455 320756 733508 615903 417191 459377 459307 858065 991262 897492 757000 659946 749229 586337 668610 670357 820682 534981 1041169 699430 501483 374177 431723 719625 557946 674292 777074 616374 750434 1114128 869733 616564 449784 649799 492366 699309 1375073 422389 492342 525792 627405 250736 400344 DEOXYGUANOSINE-MONOPHOSPHATE 6722966 6942674 5164699 5798654 6842436 4923292 16521726 18314703 10732966 13283202 9263060 6118715 3123820 5698002 13710191 8495955 9950021 10648256 5727521 5810905 7323046 7097615 10577861 6962053 6691287 5326757 6200098 6787516 7817145 6889354 12200112 11049254 15685674 11503637 11800068 8438722 7603178 6433309 6901915 6195091 11085903 6723632 7136016 6305799 6058175 6015601 7426434 17111973 13786175 11727212 13374266 12467986 11337990 6958900 7216082 6322921 5697806 5685291 5140749 6017708 5743832 5925404 5888040 8190909 10253434 11120930 11626745 9766432 13273097 9822787 7755911 8654945 7002348 7091571 8030931 5173484 6374510 5585737 5821871 5836006 17517136 13454100 11389741 10413929 13287533 11098342 10830430 DIAMINOPIMELATE 55004 14185 13941 13937 11912 22039 21462 17737 41114 19744 51806 39047 25077 15053 17051 15614 17448 25621 13572 13193 13883 32025 35410 9088 25655 18845 10731 23015 20003 19115 16972 17295 11700 19639 50672 16932 17042 40196 25079 18488 19968 40774 15496 14994 21313 16994 29009 10251 15979 16644 10553 18751 31414 30612 14241 16092 18246 14334 15463 22571 13037 21024 17014 17089 36899 51254 12059 16741 18750 DIETHANOLAMINE 125743129 60732853 36753063 78072836 114503259 45249057 134763244 145345853 140505271 84113729 92830176 67278073 164282676 33377795 70131269 58056754 146933066 267542324 51775658 49706289 68467063 95057805 82537353 141307304 117805103 121730711 133427612 125853839 83576992 144514810 127505820 142862842 50432101 73765201 27893638 57453849 81242889 100952709 52685361 48502236 52433993 65529876 232669109 190266883 74382791 220203979 64853866 84418498 61452195 94031349 86211513 59961248 48705795 42892104 78444240 65234786 93516091 39570222 79658320 113210359 166830551 112069808 124148896 215536305 104521047 206875951 123170171 48688784 51055016 146692939 133537462 43777335 113419778 249902297 61195609 89829768 62197354 76350481 129917277 114714065 98028207 184626185 150924334 144676574 131128298 82331837 107157894 70680377 41172508 146512820 DIHYDROBIOPTERIN 541979 4535782 497719 272305 5514519 4243582 8632356 4913417 3753915 2414606 1930421 5793326 5335520 538837 434499 6753742 2924667 729641 7331562 7336663 6835249 6895345 3959087 4853884 4339033 1167908 4903568 3237254 3328142 3357261 3264666 ETHYL 3-INDOLEACETATE 29577 39165 40044 79649 31477 24920 14538 134392 32885 22652 34792 50731 22305 92808 36581 22053 42311 22927 88816 19996 138189 23399 37634 59043 26551 54192 72717 27379 62246 28863 20195 81609 56803 15268 24521 50605 11600 48814 41259 21063 18973 64970 31111 32453 32447 13537 FAD 1497627 995449 611970 548435 251859 677242 561304 1117622 1249463 571761 554084 851345 350428 486640 788038 224720 448190 536846 140950 985953 1427695 1230500 1305610 907925 1097851 1185806 919211 1322527 1373426 971637 907405 601689 577971 596100 638571 849828 1202761 1101022 922083 907489 1009659 1054922 663811 1322991 972968 741862 726979 798301 465789 694654 612791 640010 918285 492354 1476739 1109538 1706398 962788 930854 1095696 879706 901105 1047111 1509309 1340066 774241 770509 881653 533933 542505 1075361 922944 1318975 1340626 1205704 1184021 1543416 1402888 966567 809931 879877 885469 953326 1016591 819432 511479 1032713 518770 553504 593222 FOLATE 9347912 6551400 7952142 3737516 5166766 6040442 3544339 5659316 9633246 11056006 4972668 6043937 4116855 6628475 7655875 7382282 4469035 5892524 7435768 7309322 12007447 10347051 7119519 10769688 6008848 7964593 7892337 19414725 10199410 15677021 12707134 4190743 6100301 17004046 6054309 9424668 5630038 5789905 6308377 6524724 6779055 4971942 16517265 9527655 7218262 9510135 5268983 7273134 6132908 11163928 8081571 6667928 6761663 6834304 33014877 12452949 14515337 8441016 7071930 11478057 6025334 8132159 9914434 9430205 9131140 19396188 8341655 8837550 8013003 6488144 13408079 8870769 6357428 8878800 7459417 6797001 11811336 11613089 7347292 7765354 13685215 6610627 8429049 24607121 7987939 5714155 9536174 6499412 7228330 9763651 GALACTOSAMINE 1223629 2458460 4004695 5582785 4150004 1679725 3117952 4260959 2042230 2844937 3079553 2645532 13246779 269583 2715118 2762737 3113399 2859156 2487586 3016416 2429656 2751065 3253013 881283 2249441 1831367 153413 1365837 267793 1823785 3296628 2457658 3136876 2677881 2531403 2395652 2859119 3178143 2629858 3373576 2569765 2500366 495191 1883208 128609 77939 15788771 1943328 2809232 1648707 2731447 1629610 2668433 5583345 2392603 2736589 2549491 3634598 2317559 2451308 86118 132546 85491 231347 130611 2452191 1217879 2575278 3098999 2517011 6313303 2643694 2222867 2984215 2210589 1963011 3185413 GAMMA-AMINOBUTYRATE 152545085 257277221 372655420 GAMMA-AMINOBUTYRATE +1 21350986 34436466 39927090 37438393 29610901 30680116 47313123 46161793 57482251 61676022 41935657 47310022 29609129 31000874 36726479 29178014 34665272 34667092 66412631 41335987 46825728 66978213 45452831 52691781 13187820 45803825 42040073 40162556 48882723 39222429 38284773 56407936 73292155 85104991 49286162 44242086 54256956 16390530 11503257 45917490 41023133 44250188 50121490 40826808 63010203 58380092 46223893 52792523 62005618 53433050 62604398 26248033 22811194 23205115 29694186 28014342 45831659 37906200 31589196 39803872 39305266 37163196 35739261 GAMMA-AMINOBUTYRATE +2 8797941 7970936 5659423 7716212 8803639 6528204 31549324 50443305 56271436 56377291 42752419 45831484 87243547 85068337 104355073 114784443 80506023 92339646 8470120 10089073 8738981 8494887 10061933 9179304 46139784 46958461 57490516 47308547 51930773 52359790 135754742 85204370 98697556 143111879 97594905 105621961 10207450 7534461 7352841 9028273 9052082 9957157 74733287 71960337 66843057 78153916 66387658 63193001 124114082 160936893 183356075 115464654 112138658 134459139 8633111 12548457 9612634 9328395 8920392 8018625 73159957 69112994 71263344 84462918 70427064 98235617 144613534 116318733 126592024 152935184 137272140 156386287 5881644 6668911 6066247 7064126 8101660 5985935 41861506 39932467 38700855 47179934 46829174 63033913 91963245 80168722 96838814 98005444 86956904 85534969 GAMMA-AMINOBUTYRATE +3 268484 798883 79030 803987 779754 363097 13642513 21653338 23261289 23238476 18757506 19409122 64504489 66160728 77354400 87309516 62341969 73473883 779420 1049016 685418 684987 602376 336758 21658741 23629154 26942244 22766041 24666135 24794306 112988883 70905343 85454215 121739427 83894874 85018221 736354 567234 633176 787522 865001 1061184 36121137 37074841 32872893 39046181 34597130 32206677 102913008 139005024 154429073 103670201 103579311 121082118 308367 841256 734928 607961 657904 435638 34533622 34655736 31049655 38169560 33624134 44198196 122700485 104026988 105675324 127417792 117829956 133271267 263220 658922 289817 727446 729921 557228 19940206 20133183 19086115 23037384 24337489 30510481 86311132 73100169 88935817 88833894 78343950 78669147 GAMMA-AMINOBUTYRATE +4 43367 63220 319656 456389 53974 4487880 6711993 8147680 8136993 6664806 6487408 37785692 39357284 44696305 53115749 38749409 47243973 47814 407167 155188 45593 164271 75877 8053553 8274992 10401357 8248390 9372483 8146760 78140962 49159496 61258545 83491972 64139448 54463585 97900 89839 305220 384290 170389 13810620 14419916 12310867 14923601 14860620 12784433 70436663 102268334 106303928 79924861 86847136 96805566 66852 219613 57558 103872 38249 13554032 14299001 11766623 14832423 13101832 16208624 97773641 82353298 81822362 101512769 91774899 102219983 38486 89445 152804 7487429 7458730 6646524 8684168 8909476 11132887 65575531 60727580 71403740 73594259 58814679 62007281 GLN 11231594897 8910851100 9833131352 7559962359 7467216418 8164044191 7186642965 9486046551 10234634966 12645554239 8339019135 8610603535 7799849344 8115324379 9423825440 10207866455 7458668789 8171239633 8454056066 7942407154 10475677645 10276874068 9108750409 13255795537 9014947316 9385914808 10122797783 12305928451 10199108523 11230417281 11308785908 7388097840 8237597699 13021489686 7876961956 9147769262 9737819822 8624427772 9281671022 8705354388 7724649498 8019281815 13439256065 9390516814 9393580448 11030716639 8756341390 9447171933 8656591974 12968910374 11984281212 8313058963 8430774427 8934784801 14603470822 11098811613 9681929745 9232322122 7384904386 10665438940 9162744970 8679690893 10285263801 10500011783 9512970285 13654363734 9514353120 9255280924 8705365672 8354224963 9943885546 9775942172 9886704949 9946165162 9864793141 9405735686 11566988993 11032327421 9267330872 9070716814 10826303284 9194729319 9324392406 15701033457 9436857828 8188615768 9845832941 8875314843 8392949093 8761241719 GLN +1 3388115 2374574 2810102 1809044 1920897 2003285 2164839 2625639 3436241 3973643 2344765 2837203 2086499 1978999 2402012 2618339 2116418 1994410 2516751 2620321 2743991 2910432 2444086 4242255 2531428 2689949 3116673 4212075 3091387 4287283 3225734 2072180 1638594 3272398 2284060 2583958 2172238 2072015 2615748 2182869 2249815 2069672 4318805 2899002 2599960 3095031 2573779 2814028 2382095 3497611 3406977 1966704 2640392 2502119 7500770 3149766 2795168 2782900 1727530 2293739 2576663 2505739 3066617 2912088 2705229 4710336 2875593 2513527 2503612 2251270 2880597 2655859 2521921 2556063 2671170 2468291 3339221 3212097 2763312 2253159 3071224 2341830 2670018 2982209 2668863 2040685 2453519 2652731 2121834 2706254 GLN +2 26240 25617 70023 70626 58843 69140 308329 195560 226726 238859 279161 221657 150408 74043 183131 264491 161533 32764 165330 111092 23927 89504 384677 448626 675127 452462 579553 184868 596063 289009 179089 189923 368531 138632 23803 21475 29267 64581 137805 727373 462851 550744 820331 680083 593971 448689 904100 800836 289732 586539 645447 154442 83903 25604 72794 289530 252659 235216 357790 284664 427362 456558 451554 85455 289320 242459 181777 114992 77108 50502 94035 98191 258308 284614 100329 214516 249669 202754 90746 255451 159853 247416 156547 303410 GLN +3 56554 233105 116752 300809 59513 216539 1391990 654410 130990 622041 346270 1092017 491468 1620145 534136 200279 325293 1043717 356779 380432 925591 1080492 140215 517319 316972 704559 1400830 1338265 547571 1070576 1151708 329237 1059886 2321432 800697 274017 181968 98603 268752 727015 920501 161719 482358 636269 130349 1005042 2151009 859618 1666350 3278816 428029 703185 1051434 2035420 963244 229568 802122 277844 42301 591118 763006 1350578 1403512 2147702 58155 130506 1301565 1225372 1282108 1402037 3009239 371930 178664 390674 272637 401648 472072 687312 270061 603695 604737 310782 757667 3682413 1079446 185359 432110 513529 1042077 1873332 GLN +4 34362 45958 47663 79293 21045 42414 29477 80031 86386 21677 89479 91947 22232 39389 95849 25428 19657 37299 35297 GLN +5 127503 20585 GLUCOSAMINATE 306195 GLUCOSAMINE 1223629 2458460 4004695 5582785 4150004 1679725 3117952 4260959 2042230 2844937 3079553 2645532 13246779 269583 2715118 2762737 3113399 2859156 2487586 3016416 2429656 2751065 3253013 881283 2249441 1831367 153413 1365837 267793 1823785 3296628 2457658 3136876 2677881 2531403 2395652 2859119 3178143 2629858 3373576 2569765 2500366 495191 1883208 128609 77939 15788771 1943328 2809232 1648707 2731447 1629610 2668433 5583345 2392603 2736589 2549491 3634598 2317559 2451308 86118 132546 85491 231347 130611 2452191 1217879 2575278 3098999 2517011 6313303 2643694 2222867 2984215 2210589 1963011 3185413 GLUCOSAMINE 6-PHOSPHATE 1154626 162980 85251 95602 87586 363909 108095 24218 223796 14494 14534 467916 205501 804949 25882 60717 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9686914073 9241395377 7389173942 10672717808 9176492065 8697022019 10290345940 10528793187 9512635701 13655600326 9528031991 9267490912 8717617697 8361239828 9952211450 9789493426 9902947460 9954175254 9857564942 9402008841 11561018862 11030936601 9280978866 9080852926 10829586515 9197438209 9341520176 15728034026 9440254682 8192924423 9852490202 8889921858 8399104380 8772724958 GLUTARYLCARNITINE 1353289 GLUTATHIONE REDUCED 573521448 273146648 99753912 290547109 118733145 119108857 19439538 68369743 42615945 14270061 21774546 4904078 30185162 18293051 23902354 27978049 72996308 164537859 258190333 251957856 147701933 30774352 109032386 34474113 33199774 13047721 26948408 10012828 436859273 165373046 123530615 105447824 148631329 72875816 50633597 29376185 32987277 41987914 14589240 12038879 31388080 69077430 14043836 8222669 42852504 320770145 131887687 274808981 133941527 29894154 66645387 29367593 55351940 137995686 68171670 78283587 19618078 25453951 40883169 31437575 38400121 218811613 240635907 86883417 212163100 70616079 56231048 42239742 14289980 16409421 48655337 21045100 45391878 13273307 35799321 12942864 GLUTATHIONE REDUCED +1 55055209 26740536 9965389 27613864 11977304 11866894 3244934 11438116 6916540 830151 2229275 7793482 1235687 10664728 6435846 9118009 10178416 1057977 5958690 16836403 25824814 24418461 14297753 5152426 107775 18626914 6092025 213932 11906047 4724268 10130476 1311151 3292725 2167617 38601437 16304512 12488475 10616217 14185787 7147706 126008 8669343 4848262 5823868 8077408 2586896 3490400 10329573 24503417 5154641 2531290 14578485 130045 23514144 13217405 23855411 13545668 2830074 12021535 5165887 9963878 22887455 11809564 13287987 6090639 8011745 922459 12985472 9815998 12133058 21145704 23619410 8803900 21411053 7769079 5829986 7294829 2232706 2934571 8513434 3783369 166025 15496523 4038352 11657214 4238054 404964 195976 GLUTATHIONE REDUCED +10 67929 76326 88801 83618 73961 GLUTATHIONE REDUCED +2 418269 182404 62652 619954 443561 482877 3235456 10684978 6835912 46265 687269 2072729 16701166 2471020 21562504 14192959 19565850 22310418 224022 521836 575231 338299 163669 5545160 43681 20316358 5478820 222649 28365545 10690124 23048609 4198199 8773850 5025547 247850 528864 566224 233723 699797 467480 10007327 5622689 6971906 9379077 3396710 8887226 27788794 58206974 10972294 6913076 37434405 977491 739286 233610 171736 13724620 5921700 11032187 25592074 12880253 14725412 15637760 20409292 2394737 33714979 23723324 30403080 218927 822675 106993 571974 133501 261301 8386900 2742309 3246798 9644482 4223594 161557 39683225 10065924 30968203 11737599 1257680 788993 GLUTATHIONE REDUCED +3 61185 27111 36044 1126875 3437626 2262795 100268 513709 11174334 1544432 13168413 9644773 13573016 15286218 43716 37345 53897 2078739 7799583 1797656 47272 20537886 7904060 16922159 2891152 6238097 3539190 46363 38017 44696 64557 3846437 2012398 2720915 3735083 952603 6078853 18588680 40051962 8543144 4860969 27229418 53008 53126 5006223 2006800 3919319 10159555 5250889 5451954 11408168 15088320 1709742 24074913 17390269 22291817 47216 43411 2782391 618294 1113167 3935317 1615366 29297044 7890540 22347340 8385796 908723 701206 GLUTATHIONE REDUCED +4 299574 1399153 756144 51859 7872472 1066365 9907790 7251305 9539737 11536841 511938 3679714 592322 16184118 6045607 13931634 2065498 4938145 2145027 33546 1771100 715080 1112641 1824778 239407 5108367 16627413 33202419 7334106 4335106 24804373 2709681 973580 1856072 4960665 1944067 2918033 9224330 13395152 1494408 21764577 15478902 19377435 37073 1853378 63710 240801 2026250 579090 26426983 6634493 20049643 7283586 449871 306132 GLUTATHIONE REDUCED +5 82794 32130 167020 31527 33894 4117881 236981 5263567 3775849 5872485 6472508 53908 1086316 58191 9889550 4001413 8208634 938245 2968446 1139393 50064 296908 177605 125538 482948 48791 2841574 10834311 19725311 4903879 3242218 15961148 65234 50061 45515 848640 236514 289370 1650460 648269 343752 6483381 9283346 561407 14292718 9968224 13224401 108445 48075 114861 39081 76103 353260 33179 17142797 4621514 13522341 5237029 253188 57018 GLUTATHIONE REDUCED +6 28771 100027 23573 106044 192449 111024 42210 143012 97480 118289 68429 30107 35334 235699 984954 45630 32829 654791 98325 118806 1161757 187620 590921 31122 773742 57588 571410 38693 GLUTATHIONE REDUCED +7 28267396 102685 GLUTATHIONE REDUCED +8 734414 386793 57843 142868 40979 1218941 1675287 882271 64959 4789547 1607156 1082703 2103474 254716 2377973 997719 169216 637256 323624 1396381 60326 256574 441897 783271 1269482 113391 175270 34273 385884 229251 508547 697562 2264895 54899 404992 810798 321439 4582961 856465 394046 244165 870274 857408 55790 931818 407526 307391 907993 407113 581307 356552 3349716 3724625 148532 1035991 1744547 447801 762353 295158 844921 33418 118523 GLUTATHIONE REDUCED +9 60778 68345 86130 105352 87885 346148 76215 73838 122091 217405 66641 81578 99433 73680 182848 209976 74630 55581 375263 65908 78997 80426 57766 128906 119961 186543 1129138 80754 117478 212421 120629 74195 79893 96230 45548 57136 74736 99605 108830 77533 220195 74158 86369 68549 79571 323603 96168 149653 154716 49130 GLYCINE 15776040 13568468 11616870 10890936 12161955 10487949 9214857 13771975 14091252 17271941 12230833 11296220 11212949 12454793 14612334 18377285 12876836 13575698 12219117 12718538 16513558 15497330 14181960 14786021 12362187 12180522 17270394 16837870 15787802 16559701 23113984 13062160 15631155 23452781 14088661 14649443 12871033 12659540 11923357 13299571 11714829 11697905 14894655 11014785 11019034 15460774 12362620 12823141 11474213 18022559 18494804 13470011 15140986 16736419 21821346 19829657 15995881 12958518 12726344 13371152 12803650 12054704 13675904 12933725 13169477 16467002 17723218 15426361 13946555 14271162 18141640 17640085 13450800 15000064 12913344 13878180 19480233 15070459 12617740 12152764 13897963 12604648 13228369 24790615 15285492 16430188 18303190 16202557 12991374 14908131 GLYCINE +1 146039 74452 133288 116785 51458 57492 32856 105711 77246 113776 170367 34614 28155 131756 181865 114892 104851 200070 85785 172752 108181 63560 49113 195281 36227 177619 117778 412590 148944 135109 383850 257005 118291 333476 216298 35215 92969 73673 81304 37853 142208 43715 74648 166540 202799 139707 129581 119610 131617 142456 252529 162638 215980 226963 43990 91170 100064 51432 81971 34602 113148 251712 55633 204719 237578 281091 129152 189049 169988 84129 137762 169482 110602 121902 88134 153432 88441 128800 186158 90886 187885 153206 100024 170856 GLYCINE +2 34537 31952 157842 64383 54969 178883 183580 109886 32583 86792 39698 349993 54305 111231 348546 269797 151454 31662 76644 38582 259711 270345 360182 108854 172308 351964 74566 336791 149922 148309 498601 291397 334105 32660 43648 109144 337341 236026 450918 448007 313797 429375 GSH 591997426 282352410 100966894 302987469 124762721 124786727 21339496 71796195 45444227 2032578 7717605 15979414 21972231 4877101 32313015 19863699 24058533 28656806 12654457 59876341 169406589 269162837 264015946 149688970 32064166 2824191 115716008 2669324 36840009 7136183 34986418 14001319 27806852 6312791 10699585 10061692 415831634 174854242 130137173 106668152 157259055 76989360 5117258 53442796 30455734 35266934 44283527 16028866 12665375 35496244 71953990 15528380 9254224 44267942 10623991 248036242 135953019 261160767 141798833 31550009 69930220 30833674 58543545 141515366 72934396 83583603 21121503 26984599 4945350 42909910 34562677 41935332 225911894 252280909 87942496 222349413 73647031 61127408 42555653 15630739 18656282 50358065 22311765 6327316 49080397 13727640 37970506 14476427 2979394 2986824 GSH +1 56252352 26739324 9959709 27601018 11975077 11862511 3244264 11523749 6911603 1101995 2319076 7993156 1235253 11075426 6585431 9114972 10173642 1107962 5960769 16973877 25959496 24416673 14295340 5150526 194056 18623264 6088402 429297 12076238 4781858 10129706 1465515 3418182 2410583 38799765 16302650 12482497 10683277 14176032 7145985 233174 8743067 4904949 5908618 8074180 2725667 3490069 10955567 24497219 5152941 2530718 14574064 540505 24022103 13207417 24173908 13639874 2893677 12016244 5221087 9961410 23404364 11984306 13443839 6086198 8094337 1050445 12981401 9812457 12227914 21147569 23852568 8802251 21530273 7762425 5911702 7294856 2525514 3012509 8695488 3855906 305876 15494241 4036944 11654855 4286535 485577 392723 GSH +10 65863 150059 87868 84397 127454 GSH +2 1457257 182440 119685 900313 674427 629562 3294752 10684755 7018063 46261 789979 2196575 16699056 2588534 21928868 14316976 19561723 22299712 314881 1422903 987319 501773 434509 5713864 82324 20429301 5571779 594895 28517475 10758600 23039644 4198176 8771514 5024448 547737 1272096 773581 551880 1494297 465739 10004995 5620916 6971993 9375247 3434427 8882335 28472309 59229568 11733334 6912949 38246833 1066270 813356 469509 630376 13718385 5979974 11193854 25767200 12876426 14724778 15633140 20407166 2464342 33935190 23716841 30575793 578394 1779375 293259 1642841 307779 327397 8460937 2867667 3246475 9643257 4373357 343930 40467415 10063799 30959134 11734464 1495454 877554 GSH +3 96188 27114 35591 1183813 3739755 2335455 114364 592693 11172420 1746056 13251196 9644252 13570401 15277368 72938 72926 90244 2151873 7882531 1914681 47327 20534467 7902028 16915969 2891697 6234647 3537812 45890 37511 44712 95365 4100032 2057666 2825795 3781223 1000285 6077258 19104838 40702400 8441897 4859846 27538260 95772 104339 5157079 2005705 3917385 10157201 5251651 5547424 11407301 15084115 1787046 24072409 17383719 22291688 47219 82142 3122019 778253 1230618 4170674 1613855 29529405 7889808 22347809 8380544 973521 825924 GSH +4 422980 1399070 990703 100495 7870614 1164812 9978148 7333954 9626233 11537117 718786 3762737 671186 16182073 6123760 14040381 2175762 4937439 2196014 33643 1896859 762090 1243079 2002227 530334 5168377 16850165 33197214 7330613 4387361 24795481 2708092 1120716 1854724 4959099 2665329 2976140 9222564 13462833 1616153 21761750 15585066 19713497 67925 1851877 109345 412557 2025726 579638 26418432 6632921 20048868 7280073 620793 409865 GSH +5 34354 135490 32171 388607 59448 34014 4191008 436032 5263070 3775653 5872751 6712300 129329 1139730 200932 9889430 4001615 8206684 1062214 3081049 1321577 51094 90632 32503 460261 343303 342755 543123 120812 2958460 10835705 19726063 4900793 3148554 15957559 98491 90567 45807 906982 368562 582002 1888183 776416 539507 6481444 9276929 861221 14347228 9967045 13216822 107353 48078 353545 39125 120066 486030 63344 17140515 4619382 13525417 5304281 338514 277169 GSH +6 28809 167649 23606 105797 191510 231086 42263 263714 96820 206785 114070 30321 35322 387503 1097518 45651 64312 855251 146984 283907 1160177 361064 655172 31182 902153 86762 816877 37029 GSH +7 32031705 29743566 34614604 26709299 28049732 29650744 25777241 28590242 33392284 34599818 30546001 28741123 26637064 25192537 28211788 34124891 24533182 27598304 32349744 28621794 32089866 32497499 30216964 35101004 29593728 32026560 30051859 34787371 30372731 35956049 32425461 25127385 25021815 25485830 23766234 28279853 32049576 30672397 33665140 30583877 26419244 27592372 36070854 32093370 32542051 32651155 28611168 30963367 26745647 25084194 31525125 27033624 28180978 26830964 43421371 28973270 32160145 29403426 24466111 35388784 29298956 28675858 30193904 31024508 30586407 30672335 28290096 27053335 26998512 22494049 27169089 30503944 30925511 31112477 32566222 28159669 32153223 34649642 32551011 30672743 35386397 29497956 31706450 31961519 26901805 26398900 30798078 26608993 25993565 27888014 GSSG 65682484 49092068 38505295 26914763 40020183 32169416 23602105 36541075 44563164 45478523 21797755 28747250 1946941 3336105 4378812 4827577 2005273 2459997 65158313 52988643 69315314 64495947 64130011 104555902 23582914 26218192 28565736 30316890 39880302 44452935 5155946 2372462 2576451 6073341 2936715 4235773 43846804 42772904 50817934 49964636 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5458118 4060628 6909978 6840177 5785996 4502416 4567643 4574703 4643981 4375721 4270194 4142849 4123322 3261476 3549199 3059631 6279995 7071872 6692418 6297035 6100118 5365340 GUANIDINOSUCCINATE 13244 18685 14537 15267 14606 12914 18838 16210 15370 17856 13925 12325 GUANINE 6423235 5228303 40268 13821314 4908942 6729050 5054144 86711 8839357 11409510 11267609 18790913 18341 9449018 14198983 7586830 184467 16527495 246737 9106096 7976050 7855237 8133213 15115547 12634450 8127722 71764 17486243 15434397 3175868 861342 2454252 7100447 8213102 9114549 15170628 3031958 861178 3701876 2289434 7918262 10071914 9102487 13744684 21116671 2427961 2970142 12124148 2550397 8290164 4179576 GUANOSINE 8760905 6534276 6385360 5863050 5335388 4863030 4324507 6946071 7571556 10930548 5312134 5894740 2874715 3169277 2979710 5747150 3299891 3687994 7779136 8317988 11102422 10430445 8492700 17895406 7341397 7854660 9921062 8895746 9794470 9618467 8772508 4134815 4586708 10107597 4391312 5697764 7998294 7229348 7601126 7616212 7353720 6764465 12413655 7746862 7552886 10613580 6355850 7304151 4448338 11064876 9801632 4488389 4597065 5324611 8969049 11090742 8962555 7230029 6771613 7794585 6684277 5079956 7810920 8605716 6823980 13205152 5074414 4887913 3470395 3901911 4777220 6081580 8543346 8971396 8495354 8694423 13555540 9581126 7094036 6645976 8527687 7264018 7207526 18817176 6556028 5058344 7073938 5540901 4893272 4598629 GUANOSINE MONOPHOSPHATE 1359690 1268957 894324 904729 890240 910256 1135128 2108727 1920395 2116261 966993 890138 335784 574813 850431 509348 687844 613177 919980 1083121 1169434 1379495 1634295 841689 1387896 1182317 1132717 1073866 1220083 1340436 708434 728331 768303 1086225 692306 952354 1562627 1137598 1082562 986361 1032817 1149665 1740386 1517786 982088 846972 944691 752047 866299 1287391 1293274 1006948 1107643 1018118 1352305 1022336 1579889 1395543 1260940 1252896 1165380 1118602 1187400 1380174 1164902 1310363 748013 815552 769473 843524 1119888 683319 1357102 1656466 1143540 1187707 1226915 1364941 1046976 1166482 1007824 994658 1112304 1872212 879561 788771 1003932 846680 889095 782207 HISTAMINE 1386733 HISTIDINE 3094539260 2746970489 3474968649 1926050393 2542311098 2779256102 2160129809 2734857117 3672604274 4662578686 2733906822 2940192638 2388997271 3070552882 3234889551 3600976531 2583849020 3042966141 3361384787 3053626770 3981785032 3904199077 2889758901 5008402560 3257311534 3947755402 3768758950 7209900106 4129572740 5236436791 4861919408 2653770399 3276957354 6667116915 3237699792 4211615827 2844858522 2744416667 3061385252 3136715530 3069521326 2582137998 6987818683 3568499798 3397589929 4445717704 3043121355 3666896861 3248425557 5161583053 4322290705 3521469351 3605780437 3518317418 9575232372 4495993742 4474764970 3346792683 2536464077 4208234841 3111452201 3396319735 3975789911 3874334515 3866832490 6490774162 3904444240 4089572728 3658665295 3256856737 4896973565 4054651363 3015223315 3279220094 3296158140 2597681772 4207017539 3996425467 3172130703 3405939855 4918142699 3134627306 3351943374 7346430837 3508969729 3011533814 3867763351 3129672318 3336496866 3892791514 HISTIDINOL 94729 158602 54323 88226 71211 137074 26584 34015 85725 133263 152736 246868 106513 43199 53313 175815 100924 143261 59727 40197 117469 122513 35927 49901 74356 57885 47037 73502 66910 21038 80601 256441 34014 99998 63864 50500 121845 42084 137923 120147 106969 39382 67753 98413 18414 108367 68989 80265 23042 87099 48250 69689 71409 52588 18517 21845 66396 66114 200241 77632 188087 56289 177092 73272 31896 51584 81658 114281 253166 69784 63994 85365 32810 50207 173916 81360 47550 72290 50056 34137 54362 160615 39378 87884 74671 84132 191883 147118 156454 HOMOCYSTEINE 13147 15765 HOMOCYSTEINE +1 1106721 658146 1067181 1029031 772357 1103150 826450 1305750 1540999 1234251 946993 857275 1619971 90105 936080 813071 1199649 785206 1203558 593735 HOMOCYSTEINE +2 16407 14698 26041 38636 17921 14756 13095 14276 HOMOCYSTEINE +3 23349 HOMOCYSTEINE +4 47112 18887 37192 13227 17725 38672 24330 23348 33132 20450 41314 15752 19399 12538 21232 18136 22888 34548 21586 19101 22369 26335 26807 17473 22086 18416 17981 17223 21199 14903 44068 19823 17186 15952 16140 27542 16642 20824 27265 29512 29945 19576 15989 18060 16988 14829 15140 18275 12237 17311 13699 20717 32355 16779 15449 27831 21442 17762 15408 16474 17901 18287 HOMOCYSTEINE THIOLACTONE 71953 15062 53764 20304 28237 HYDROXYKYNURENINE 13459 12327 15357 56089 37901 28566 21750 16045 26936 19494 25539 21831 HYPOTAURINE 8897366 6194735 4130283 3675280 4093803 4984857 3499246 2372422 6154889 952927 1606494 3252862 5368909 8148335 9333070 9972934 6093572 9703380 4982285 4857898 8502974 6535963 6901280 8615426 2342651 2164140 5678774 5685091 4248228 2594437 16549130 7813604 12103248 15194131 10148325 11153045 10814678 5846065 5440308 7233038 4078484 7090233 7668622 7711462 7487460 5958246 4803132 3506117 11501930 28223711 19817138 16140283 12252729 20619751 6966012 8091306 4362258 7916256 6788316 6300052 4852977 4997171 4893733 6227576 5202076 5421030 16697894 14920671 10352777 17274730 17208072 19385241 4535591 5330094 4911930 9386435 5769884 6404968 4340476 4360617 4679273 4210455 5178347 6703876 13027382 7984147 14628449 13505014 9388821 9799332 HYPOTAURINE +1 63753 39137 62801 50382 26335 139898 28733 59124 28094 47364 62951 26219 87500 50941 124019 83161 55639 66043 30071 35396 55795 92898 48705 130692 39615 49205 43733 68812 40846 48913 63361 32989 40110 HYPOTAURINE +2 65638 HYPOXANTHINE 116996 183410 36973 57106 2906363 417760 61021 73857 3774641 4029993 109192 170969 303836 111728 10056040 5616962 5221045 90768 80645 33686 99555 160965 91326 145886 124039 291444 3567407 5584272 3646232 4030202 5185535 5568720 62944 148100 145759 206053 125647 192322 7370369 7010392 6705842 3703597 3277718 INDOLE-3-ACETAMIDE 99577 234850 374970 250299 212183 391367 60572 257607 214418 365346 346356 196555 170263 94664 212319 163133 671547 899911 295450 433961 825945 220787 338045 461769 193601 497171 397239 350237 213108 263203 565949 732937 172250 2030218 810786 199171 375717 331124 252978 239751 379851 402973 881097 308045 265472 432502 251227 414430 401804 1696315 1383422 710542 620972 770267 989529 736765 427053 394052 678792 532737 184024 234661 388567 266238 422614 677927 810171 996180 368791 935037 333258 1370933 417031 454396 499494 381991 509834 423740 102476 109838 55444 321267 585975 555077 999526 816718 739913 999991 INDOLE-3-ACETATE 31203 21929 20006 24378 36958 24943 16877 38562 25750 29397 22063 32638 41889 29255 22352 18735 47261 19863 24317 36577 34156 29529 77890 42558 75083 87240 17335 19297 27114 47023 35803 21863 22830 19233 23356 76398 104795 65246 28704 29727 23050 40226 32685 27463 34550 29648 46310 72866 82872 79684 56984 72890 24318 23043 18915 22925 29696 31001 21791 35710 30151 58890 67119 146236 49124 INDOLE-3-ETHANOL 97360 29502 369318 62235 330216 121136 180271374 197477721 192796876 244898114 210033 95259 45558 27194 123683 280227 218499983 196230100 656236 223651774 33452 118122 124823 122015 82797 855794 198337 551471 828929 635658 29341 659725 135131 73920 167727 33347 376195 63492 73604 156497796 71883 176347282 102892 51658 59491 89039 25334 255641124 213228645 235106395 208764615 135438 26635 106525 95615 INDOLE-3-METHYL ACETATE 28302 24977 19522 27311 49730 33921 32803 37065 25329 34494 21483 28186 11446 29920 31078 21978 22479 12718 31241 24029 55115 28853 29597 52617 24422 60962 52118 21327 INOSINE 4450226 3581595 3104317 3296586 4248667 2937388 2278890 3770258 2680886 3133743 3567135 2774848 2024129 1667374 2884524 1878668 4449358 3974526 2548327 3325536 4313844 4731579 3066308 3277702 3782177 2401106 2823626 3011152 1687381 1773322 2019603 1950864 1526616 1845275 3436445 3269618 3153067 3244634 3492951 3897067 2006885 2403381 3489609 3644798 2746259 3437120 1513564 1274062 2663567 1541857 1462438 1790407 864247 3456657 2482901 1942915 3279976 2891992 3558428 2505199 3698699 2909867 2914998 3245962 1838918 1804115 1313365 1854019 1818294 3457015 3987127 4019973 4330040 4853458 3138539 1899957 2867724 2841381 3255726 4021034 3455558 1918441 2127177 2272131 1877993 2262237 1327573 INOSINE-MONOPHOSPHATE 146382 97477 17499 528465 300407 331646 194577 171211 59427 37604 25908 36840 601997 13623 12320 54022 42361 27773 81001 43305 209758 70308 282085 20522 111351 78769 19037 26938 14918 34667 36449 140347 17761 322925 290389 40965 90940 12781 84999 24100 63951 53888 17142 231155 15799 199390 30898 105768 15479 55163 198409 108902 19854 158630 196876 114378 113992 33857 45669 43943 46164 15290 28019 15281 22480 199094 18366 18418 58080 25148 50265 73675 44424 17465 53358 15682 14071 33622 15773 104798 ISOLEUCINE 5035899898 4590685538 5919987441 2451170163 4090686906 3400758511 2149256307 4269981394 5411211133 5592446675 4505425352 4725254054 3039199190 4866041827 5214224592 5879647567 4236862337 4964321316 3591950590 3945348656 5254770389 5904392683 4684953499 6317124222 5064468438 5975287140 5677052315 9323060624 5655031292 7286378097 7513288415 4273703802 5130922288 7726033075 3820379479 5678486075 3511356685 5415199912 3726264078 4044567550 5040715515 3235325783 8715448336 5340093170 4145059725 6529634577 4804429211 5687142488 5203705152 7213136888 6414409105 5696580721 5467341772 5844772015 12719437756 7234782334 6772422418 4181207761 5322416191 7096914725 5363337490 5263346829 6628000923 5905731995 5813178277 8245544956 6543380400 6567705299 6124047851 4107424175 6979540782 7037995430 5451753199 6006842707 5655091711 5455151885 7666463846 6327053509 5306744471 5586917005 7267307068 3640589898 5587761530 8328851011 5827481434 4950290811 6717735080 5817483271 5620223163 6582491110 KYNURENINE 89382 90394 55210 215504 109193 153403 193091 383460 159470 126293 64027 145118 104695 71259 227324 114520 113801 140366 165956 62630 122012 67698 111849 80533 140179 188181 189395 181720 69237 107268 203363 220010 106204 73460 99451 77744 97283 113833 124532 215692 90553 111118 122590 220834 100547 207958 94254 72201 L-CARNITINE 4281964278 2724691614 3173580146 2119976543 1983528488 2256620977 1346176954 2143612834 2887745056 3422620056 1666791042 2008326896 1442272331 1685741664 2242746276 2768037495 1533483616 1945286768 2546489953 2418767584 4313597487 4151945862 3337436832 5975090649 2139658355 2372627946 2943241729 4124190837 3143348201 3775344879 4005630758 1772000822 2241757490 4852249359 2202928342 2690514495 3631597984 2943677234 3142017154 2940658146 2218380568 2727295580 4010203586 2367319996 2350154895 3131402775 1987433608 2381788917 1996770452 4029971869 3951818055 2189890916 2159860946 2633196147 7363438531 5538827037 4125736065 4094575809 3635608036 4726147173 2684300460 2426826100 3345228528 3809861259 3068568431 5720661376 3267302022 3056392432 2811074817 2900486937 3879778415 3954678242 3649341824 3811920355 3802004124 4216004342 5377604808 5373426574 2465342938 2320330119 3364003607 2488077475 2598327925 6291250976 2769687320 2120626694 3265074512 2763312743 2240342970 2706065002 L-CARNITINE +1 311634238 194135551 226167894 151151053 139023031 159926386 91617617 149544597 206750130 235707514 115002096 139775583 97531425 117115466 156332750 190894730 105087780 137299422 181302781 172705994 298729150 301883756 240256547 428166649 151058903 166550467 209601524 296386245 226410474 272508626 283664044 123139041 160585755 342488458 156264051 189790727 261342093 211385017 224121562 209726788 157500750 195027038 280138468 165340488 166247417 219616132 139745368 167662327 139585988 277206524 276650740 153064945 152304885 184723331 535921601 401530914 299620413 296241849 262332916 344200184 191325444 171933312 240277065 274226222 219285907 408874622 233128146 218740728 199448379 206319517 274090815 284443600 263742879 277304431 276168886 309011558 388212906 392040266 175369771 164692396 240428079 177491610 184462114 446735313 196744933 148090179 234158732 193670268 157117245 191264312 L-CARNITINE +2 798117 884259 364743 408488 538509 924792 129106 248404 362289 334402 348431 342695 610226 582331 239443 547113 127917 490941 1011216 857868 1285029 997889 1168739 383718 199818 287683 1085723 1424155 844758 592520 1299975 237894 327382 1041762 139194 651825 1769392 898247 1044897 717257 869631 781411 504050 740490 720003 549495 411002 202896 342365 158790 291883 645028 214949 628521 1775055 629451 1830994 633636 1781326 1087097 592394 296149 318457 613912 630488 1758327 588609 252123 1108811 681783 611504 767558 860431 1010134 761224 746660 1981706 2012145 447226 387070 394759 438531 356897 441096 555887 208102 860600 1193843 564037 872383 L-CARNITINE +3 15708 18201 14497 L-CARNITINE +4 18208 L-CARNITINE +5 16652 29924 13383 17133 19133 19356 19542 18598 15879 15284 14684 21796 14151 27062 15535 21375 24407 17574 12171 17447 L-CARNITINE +6 25445 L-TRYPTOPHANAMIDE 21442 27520 22954 34605 81310 25958 17732 29420 59983 36120 41024 41103 25800 29481 49950 28062 39033 24855 48624 19593 34406 45882 36401 23446 21715 17386 33260 38486 32996 98154 31752 33147 40631 22867 25452 51635 20044 27196 36547 19638 32108 39402 18436 34835 24952 41777 99870 31753 25303 33128 28969 LACTOSE 40322 64874 7730048 132276 108661 17884 48445 528693 90358 878140 721119 22107 LAUROYLCARNITINE 45375 71430 189566 71326 71105 34565 591677 2450039 2712570 6846301 1625155 1528083 666740 319075 947708 4152814 3289563 5470987 56920 42980 1776622 145789 230196 1102858 2010616 2731192 3139420 2534618 2755312 1910333 2001178 301680 6584130 2217684 814411 307420 109435 28092 171765 109969 40756 6687557 2566781 3562544 6097379 2935658 3456377 1258091 7714491 6688688 2576336 2351084 4089691 373282 1824154 66130 22117 119644 141480 1224242 1901031 5031343 2798450 2995677 5915518 3539049 3844772 1246356 2823782 166410 5574199 63322 32789 84878 45728 901299 68146 1560867 815355 264914 458377 438078 4139667 2416915 3100847 3143582 2330011 2868688 2788576 LEUCINE 364166019 1092294497 1178775502 995127964 58634094 1193350264 1183032028 1190955205 6317124222 1173317058 1373797560 1261777464 1203552956 1301954424 1312367370 2951333 7234782334 1457846415 1539866733 1392384707 LEUCINE +1 909636 2146627 529516 332842 860418 679642 443982 437797 LEUCINE +2 1152645 2006239 1099541 1274760 1311925 910268 935115 2797140 1290710 812465 2006312 1365034 1861346 1378257 1726781 5549045 1483702 3988734 3647917 8305670 1542529 5856640 6718221 1403770 8299643 2806848 3571196 1006776 1755984 1811130 1233176 2216611 8965881 3538063 1510927 5037216 2172280 3778933 1662003 4451483 6213044 1983309 2230559 3290638 14632408 6695435 4606773 2461443 1313483 5819021 2881042 2554408 5092961 3562160 1715552 9485551 4553035 4318318 3005586 1657955 5429427 5526345 2018164 2867573 3930227 2593917 6771829 3983842 2883086 3644043 6148970 2503370 11979513 3142863 1011670 4918714 1904526 3671847 4098591 LIPOAMIDE 23540 36153 18708 LUMICHROME 32703 278967 30439 25286 25100 594412 22440 86080 34751 91079 33522 63990 99817 147631 20670 32851 22980 1885632 45727 55545 70224 24592 41418 87852 171438 37229 55729 44952 56985 252405 39451 19745 28741 14372 21678 786329 322660 115160 48142 31671 95004 63345 62913 29385 139280 69182 29076 30417 40859 121615 440186 31961 58612 15875 47711 32075 23552 43136 144461 47580 75846 14328 31115 36795 31037 74204 31550 22404 26519 27684 27823 18073 53840 48079 54891 44888 76412 54942 41892 44259 62421 45333 49400 LYSINE 853384802 496773262 719135369 313396455 390207617 547182179 318270851 550107256 764889211 981005369 428395154 611888986 426543720 706088588 602109376 784435370 391576641 582096111 661540210 676393460 1194510653 863041703 690838352 985107207 650670142 936419315 897752968 2269288325 937408458 1444298594 1518164819 424989333 674761303 2053514592 691579495 805086327 501634940 620767750 598313693 684070124 677533794 543511369 1583310001 739184298 613192314 1051621276 594460161 808556210 748466059 1155552193 936533740 706616219 813562747 763253695 3600061955 1395000185 1350203335 701701678 651076538 1216210643 679446626 830279156 1144483101 1054965674 822787728 1934308816 939946359 1059584911 902356386 802535785 1162845763 1040765869 644702762 887956096 816978186 742863666 1385497489 1022314546 747402273 660539065 1452847863 723604600 901939358 2592337313 787045729 540381886 1171646553 738870279 809963682 1083920911 MALEIMIDE 13040 22552 12901 18549 18535 26251 14572 19481 15717 17379 13663 17551 14310 MELATONIN 151246 204732 138621 115173 117013 150421 39606 170902 208665 236582 237988 108658 12464 13878 101054 246116 335264 206176 268192 188197 115070 266982 183562 160595 242932 184516 265586 263851 87550 108247 11837 518182 159546 421222 148612 279119 340190 175262 134620 476526 244633 216306 336229 159321 255958 203963 499756 578001 235855 238047 91418 235691 292168 208663 160055 413436 297074 287977 155807 319341 263056 187922 1162175 258111 143994 277322 94251 194076 203808 198305 243831 476370 536450 359149 135251 38554 93519 131127 275714 372486 383162 83792 127110 METHIONIN +1 345130 52347 60678 94041 155721 426995 665543 677187 84250 116433 35605 43948 55815 736716 439942 63187 132660 54997 759568 28793 61710 190432 91438 56833 227202 262364 81200 46362 56756 1129359 1125144 51101 833926 146494 18320 124580 364729 437101 83617 162487 45404 80557 20410 76999 246649 237386 112420 125378 40694 METHIONIN +3 42870 98880 94253 123620 METHIONINE 2820530411 1958576148 2580374084 1414386243 1476708382 1727219838 1238375453 1792442947 2264872941 2527751238 1509733110 1725069964 1905072516 1993821465 2379749979 2752802312 1693868444 2008605406 1807117249 1826655251 1753791395 2456367600 1861351643 3209264982 1954758269 2161336581 2331320137 3740761379 2234900890 2973184899 3615333315 1664803193 2079023213 4186707090 1893548771 2455355682 2462085759 2150199527 2281320915 2143013744 1788231847 1746681366 4011759687 2276429892 2250005291 2797393017 1838499573 2159964031 2499640310 3981626102 3982163379 2351910626 2259586972 2492678008 5530027998 3056023025 2576889564 2209119972 1916418184 2793289882 2029884384 1901697361 2499903315 2434304196 2250595664 3953007409 2783536675 2681193523 2417196274 2187874015 2996214455 3059395512 2591236151 2532365239 2498597803 2320103945 3183629386 2801205084 2222008344 2178988103 3116444600 2082616186 2196098578 4536073979 2912134114 2308735728 3226855431 2598582622 2325039913 2680518784 METHIONINE +1 140856218 95233178 125244150 70398781 72484223 85321966 61986317 87922689 110087279 123248576 74888177 83638633 93788333 98369200 117314671 136057360 85183873 99751750 89180826 89416849 85836182 119319743 90560360 158016383 95193027 105781103 114478493 184762638 109126645 145914754 178977892 83323787 103811200 208297989 93633094 120423963 120950101 106160647 113119316 105180431 87741357 86844406 196019597 111342186 111028391 137866093 90162339 106550802 124930595 196085097 198171903 118256737 112728503 127295824 274632336 149402223 126938836 109001262 94826476 137481851 100370350 93650314 123991912 119096241 110711269 193321497 139358998 134522914 120814366 108877954 148410866 151411674 128662313 124715941 122580706 113772766 154195867 140257774 109590210 107826956 153829074 103659129 109349046 220600746 144547951 115524981 161629702 130125086 115556764 132384804 METHIONINE +2 239846 91763 229542 139211 122301 125484 93005 167841 238078 116684 136883 143401 268421 161619 201709 419537 87945 124377 258289 60911 79630 168238 127916 170155 118452 79280 132459 236945 167715 291373 257198 54497 268418 470619 261434 126147 192944 216412 83471 77381 127395 62066 135941 230321 139412 205483 134821 260097 211837 307398 169803 424032 114529 238538 240041 174193 385561 168663 223529 359884 126942 162779 91239 262093 157456 178456 131568 88109 241628 80188 97487 152028 271646 173642 95462 82087 106495 352731 371964 322224 254471 104223 182580 304484 102330 278052 355889 173798 167751 298771 METHIONINE +3 30294 37972 31622 METHIONINE +4 26737 22324 73809 109660 107013 42824 161961 113133 112777 55695 49326 53963 1151038 1467171 1588373 1674593 1066153 1287258 51915 78301 32209 36716 74129 78306 51384 86291 139975 124563 97308 2619223 1238597 1901476 2876705 1709873 1755841 50409 40637 34729 42080 129646 36652 63588 77159 83533 123585 83642 89725 1975518 3252947 2920813 1931770 2155061 2212008 24643 59690 40157 46967 38405 73247 208879 51274 166935 118486 167871 2751673 2426523 2048432 1713608 2878905 2847734 122335 72073 80002 71723 36577 74093 210433 80818 65840 163313 133281 39592 2333913 1783659 2951650 2350652 1879463 2085033 METHIONINE +5 33557 METHIONINE SULFOXIMINE 48705 82500 METHYL 4-AMINOBUTYRATE 208284176 150145336 134358582 168472174 111440095 115554628 88049545 116309402 117077248 100775061 98774894 91946803 70452929 97436738 71618588 70186269 125225041 122175362 249074850 162771145 162223860 132944985 104953257 148495723 83707312 131840447 106263567 99190119 94467177 79485269 74922480 81565470 165139169 139868344 122946918 117986120 88615650 166149600 94743418 91173530 93160600 115318264 96627085 110660755 82936935 67395925 76885429 81815802 86990876 134867825 112212786 126644722 134236713 125576938 120729480 102161033 175724457 126414306 103798814 116802387 78071997 83767715 82144573 72889603 89615243 148749335 143601248 135617308 180765417 172558149 161296579 109039742 102233201 90571149 115389448 147082571 97328480 105070929 96457095 93450643 85324284 78433604 METHYLTHIOADENOSINE 180570587 185111612 194575504 168922390 179025398 177493119 218856243 188144447 208839240 284988635 228532632 237718395 89338804 107412437 79848377 93956361 110894453 124207805 211511755 229588954 344452990 221039094 211960501 278881593 283078606 322990461 349657991 342477855 257721632 289720503 144871269 128372195 115335498 219618141 151456256 93127469 251193963 222984105 213911275 249748108 248728111 261303764 302016560 225156546 245680118 328260575 285196105 300368347 138084483 162229945 176635764 147659843 160038936 178284926 410350064 367210374 203028351 203773462 116643034 271077879 281749223 262118242 325389152 214978170 246779900 325040776 161041265 178205202 127838520 163788153 94823430 176991252 292298076 333303402 317749244 270302332 411318429 239046266 277149552 280364491 236508670 237773500 273722983 292358313 148979460 148726962 217750712 191112430 163990483 192874018 N-ACETYLASPARAGINE 1029185 210575 149869 264325 444460 351936 441113 872616 542648 42838 372903 740230 529993 753350 498539 1341360 397182 422504 665769 1103928 1283032 136012 309150 102730 1160654 1296429 922319 1486578 587353 674205 1519594 1168346 1044199 69249 1402274 793237 529550 378082 202809 960715 1367986 1651198 1367663 650498 466094 1880965 993020 1186474 884487 60653 1442669 327482 447212 1231606 953581 1362232 233327 13582383 3862608 155692 616043 1418378 153094 177444 546141 673796 599606 812811 376922 355060 1043526 785277 704503 16351218 3737487 435917 667126 250448 659968 666718 1079096 63105 570063 423422 690975 939416 1199951 763077 N-ACETYLGALACTOSAMINE 19286429 12800731 9028398 9506626 8914885 8442335 4642912 8851915 9531965 13300362 6188389 5793110 2408206 2495742 3498041 5894658 1870222 1970436 12639636 13520291 15905599 15794339 15701975 23634401 8736881 9000346 11645120 10056276 10817092 10906757 5440142 2678138 3326210 5985099 2801508 3129655 19353241 16326443 14243940 15965968 14280428 14524807 14850594 12356838 10040787 15746831 9426345 10493339 2910751 7303632 6850684 3148140 3944047 3923792 15901296 19453791 17272277 13201349 14020372 13986864 7739869 5705218 8350002 8543167 7051663 12467861 3102031 2865343 2429828 2354673 2498156 3195623 17099515 18108016 15713500 17750786 25453912 17597501 8778842 9178565 10099993 8947399 8973973 18003718 4192416 3352891 3936131 3812199 3489474 3157259 N-ACETYLGLUCOSAMINE 19286429 12800731 9028398 9506626 8914885 8442335 4642912 8851915 9531965 13300362 6188389 5793110 2408206 2495742 3498041 5894658 1870222 1970436 12639636 13520291 15905599 15794339 15701975 23634401 8736881 9000346 11645120 10056276 10817092 10906757 5440142 2678138 3326210 5985099 2801508 3129655 19353241 16326443 14243940 15965968 14280428 14524807 14850594 12356838 10040787 15746831 9426345 10493339 2910751 7303632 6850684 3148140 3944047 3923792 15901296 19453791 17272277 13201349 14020372 13986864 7739869 5705218 8350002 8543167 7051663 12467861 3102031 2865343 2429828 2354673 2498156 3195623 17099515 18108016 15713500 17750786 25453912 17597501 8778842 9178565 10099993 8947399 8973973 18003718 4192416 3352891 3936131 3812199 3489474 3157259 N-ACETYLGLUTAMATE 52411001 44139655 28270977 43811140 42855814 33752205 28654342 41515633 40647796 43245016 35333579 36056432 15987335 20127627 20078821 25491483 20559911 20137537 45581183 48411562 45838602 45832158 55547023 51028859 41688344 43304138 49230524 35387365 47203830 45347985 31164620 22827129 24461475 30125212 25024189 20172477 52769576 47492609 38264011 46814266 54008076 51536720 37875887 42744014 35398849 45132744 42557859 40004575 17974455 29362618 27155558 22525834 26663185 26904106 36619199 52482934 56307512 47211380 46208981 37024165 39909377 43145495 36713079 40720635 35897668 42591627 22175705 24017531 21062667 23448550 24913835 21645923 43898445 49718027 40918341 49041312 54712319 51745483 35567183 34946677 31540413 37679061 41943658 55901980 25073555 23052530 25634767 26327481 21822678 20985184 N-ACETYLMANNOSAMINE 19286429 12800731 9028398 9506626 8914885 8442335 4642912 8851915 9531965 13300362 6188389 5793110 2408206 2495742 3498041 5894658 1870222 1970436 12639636 13520291 15905599 15794339 15701975 23634401 8736881 9000346 11645120 10056276 10817092 10906757 5440142 2678138 3326210 5985099 2801508 3129655 19353241 16326443 14243940 15965968 14280428 14524807 14850594 12356838 10040787 15746831 9426345 10493339 2910751 7303632 6850684 3148140 3944047 3923792 15901296 19453791 17272277 13201349 14020372 13986864 7739869 5705218 8350002 8543167 7051663 12467861 3102031 2865343 2429828 2354673 2498156 3195623 17099515 18108016 15713500 17750786 25453912 17597501 8778842 9178565 10099993 8947399 8973973 18003718 4192416 3352891 3936131 3812199 3489474 3157259 N-ACETYLNEURAMINATE 30727589 19341194 14725152 14726889 13843700 12807459 6244467 14729847 17666303 18119904 9582589 12171238 2026143 2659173 3926280 4960101 2456708 3253734 15174051 14214076 21938647 21915847 20924289 28844102 10191158 11626586 16666191 14216543 17338341 16257509 6595693 2857722 3229756 7049480 3413444 4132838 21630130 16073408 16625804 19742304 16948024 17404826 18882267 15151294 10494261 17354831 13617974 11713691 3172577 7718369 5715739 3910940 3941101 4688266 53822645 59822634 49078359 39436880 42795851 35928743 22204133 19252167 24539764 31768629 24231123 32859483 9545982 9133016 8008876 8807745 11713278 11247592 14841165 16285596 16512815 20094644 27358419 23279326 9493597 8814547 9659491 9033891 9374965 21185344 4103899 3381950 4498999 3719227 2962863 2682182 N-ACETYLPHENYLALANINE 908777 497279 413866 361279 241276 260079 787346 1437295 848470 1392358 819939 718138 122073 120425 124591 76122 906888 775337 269817 503858 1661102 636456 832833 565499 600394 1050430 594711 978572 887232 993883 64357 1034469 71221 790496 935152 77576 367173 809994 450488 457209 216145 1022266 843510 377322 1015559 747507 1042554 908357 945492 842676 835553 784625 589486 568236 1954051 716037 534253 371044 433372 619534 869917 828212 838893 858652 973342 607513 838887 92465 742047 75290 817561 330548 626950 663183 319269 545476 784276 617535 951664 128950 29928 39157 301838 772911 974546 628845 891802 781231 851370 N-ACETYLSEROTONIN 33972 39311 25691 25741 20490 25945 22423 40251 33434 33600 25147 24349 56329 32354 21022 26905 19214 20373 28262 26845 38858 78343 35855 26960 29486 26925 45151 25287 22818 47531 N-ACETYLTRYPTOPHAN 20795 35078 23481 31531 40639 43877 36061 27903 25729 N-ALPHA-ACETYLLYSINE 21100429 15005539 14163739 13172492 12150321 11734294 12087636 18683399 19978276 22847050 12827252 13990494 8754488 10176078 13565431 14876723 9615213 11673531 15235362 13876753 18259900 20689227 18263052 25310648 17130149 16279288 21047365 21940319 21532417 24911662 16365465 11677246 13523454 21473327 12848859 16115391 17988292 13823468 15491115 14147730 11874233 14249142 21671170 17149311 17279960 19458816 13609718 16520088 11564543 18756832 17038326 11639318 11321156 13614482 19596353 17636796 17996686 15965524 12011487 16663558 14996923 12182881 16508419 19948820 15556376 21667346 12345199 11543490 10387664 10807598 13877269 13743349 16571741 18302304 17153719 16703432 20880169 21734370 15337805 14413674 16856851 16080269 15713777 26654716 14373233 12673921 14635796 13958780 10690706 11010586 N-METHYLASPARTATE 1593818 1915746 1770959 1889121 2254600 2636895 1806023 1896814 2312695 2212746 1619604 4303894 2297184 1470722 2058396 2798977 2126037 2941354 2602541 2234778 2355188 2410870 N-METHYLGLUTAMATE 2434107 2137782 4945274 2397227 3045957 N-METHYLTRYPTAMINE 17502 25379 20060 17064 80340 18316 27453 18621 N-METYL-ALANINE 2844928198 401582624 N,N-DIMETHYLARGININE 13708154 10522831 9032841 12774293 18874606 22398104 10429421 13535053 15475 27015859 35110778 18536281 16653860 28528702 28251822 30190063 64091748 23795394 82352240 15249965 12450247 11824513 13320681 31661780 20554916 17659684 24605978 15331727 66013897 53729597 37253021 20440544 16242905 32237 17015152 26219029 39758128 43708851 57182872 50974510 14680281 13560662 20645850 18665401 18072826 24970347 51338811 37234129 55228096 N,N,N-TRIMETHYLLYSINE 22879251 15756471 13200664 11226591 10976974 10091852 19528245 23330902 25269939 12204953 14241143 10811604 13914711 20561981 23434402 13891397 16839560 16556518 15621342 22894659 25420743 22710898 39515967 18803500 20029745 28361603 27564239 29128019 28189982 42550038 20603327 23678518 53629249 28049975 23923799 20682273 18493958 21869054 17960040 18387257 35530762 24028229 20227321 31510364 20252171 20762042 21009117 62464234 49734788 26333401 25997446 30344427 31946646 30632222 27872542 23870499 22121538 24132305 22346145 17370907 25444831 31055332 22544728 40411542 31637966 31063043 24484376 26716867 40021320 36171397 18956625 22882302 20703416 22990294 29851596 31034795 20924650 18908641 23847476 20251327 19475784 47413989 37214591 25089425 37278015 31593005 23492144 25207033 N6-(DELTA2-ISOPENTENYL)-ADENINE 130383 76426 146651 158607 68316 134005 96566 139702 168348 140440 71493 148115 120316 111969 111950 121326 112129 145529 200030 176584 107510 151013 144511 160902 203974 96886 149971 181939 126395 109992 65212 NAD 176640 1143849 558853 993174 505223 724677 16298 1240408 863202 896394 522099 524756 27074 30364 19456 49806 96608 549696 227788 1841263 344587 1540088 416364 552692 1022034 627693 1078047 1382439 33076 81178 28717 48996 23696 1515708 639906 857631 1091395 314676 935579 392654 821314 1176995 739684 662127 31261 74904 35469 34712 75712 1541067 877572 264672 1831449 1635378 1928004 1150893 749777 726996 476858 813873 1548993 40900 65256 66216 136648 118302 249420 949882 1380621 499319 1572809 2488598 955390 679983 496244 359804 828124 463297 1089605 62942 17683 42960 116855 80993 74186 NADH 74744 50524 NADP 6419944 3390631 2236318 2717898 1974427 2546451 4213104 2473596 2764938 3358626 1690806 1728578 402103 869828 601480 1152287 267119 275748 2798015 3004881 5052798 4021670 4456094 5111641 2023760 2140652 2476894 2459626 3145459 3123639 1197637 298456 373671 630771 371168 375610 3972488 3007526 2716571 2955567 5897155 3135920 2738945 2493607 2000598 2549448 1922792 2363514 527456 732357 635538 463542 1163899 429437 5304902 5469876 5745270 3996395 3710659 4044362 2265991 2599737 2452607 3399106 2695482 3932328 603290 681316 521996 444232 817730 940920 3471267 4248562 6100340 4074760 5326182 4379191 2483514 1821030 2118583 2519505 2268895 5135631 643482 385376 1194415 409297 526156 268320 NADPH 24775 15858 17321 83675 17138 17148 18899 23266 29583 32669 20031 33086 16734 18484 24943 20217 24181 51173 24365 38536 40652 44764 19184 30230 30694 23900 18718 26727 18666 36803 23022 16020 39314 12692 45481 33021 43211 20495 33119 45454 25226 23886 15868 NICOTINAMIDE 1054249769 1290311169 1855786525 848800332 1211271418 1294100757 684826532 997206533 1543718009 2201491113 1235310152 1311996289 923372318 1094446748 1113294486 1566455585 1201925121 1457871958 1414284976 1404141195 2140535044 1780002597 1310232318 2354238996 1479662579 1804784506 1664433998 3105862510 1713963421 2069925771 2025064706 1125485047 1282677553 3226520034 1386011706 1652077663 1197917919 1466267005 1415338589 1540448934 1452847821 1222882843 3316581561 1563853236 1634317626 2188816347 1327015342 1568840059 1247429736 2740237216 2036837962 1641880645 1627440506 1591585874 4609295006 2096240304 1825839805 1596977550 1413296975 2153357335 1387718599 1411120173 1848895562 1631080605 1821064600 3359484975 1857047356 1924224095 1689866733 1516670463 1892985560 2204288752 1664992398 1789807686 1768972309 1470086081 2305911965 1999357125 1585468223 1722979603 2350918064 1447438973 1598254654 3399307578 1588560118 1454283335 2034937994 1623870183 1690905413 2016124624 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE 40250 20993 21689 21432 70319 24732 60260 62067 19926 18584 20042 NICOTINAMIDE MONONUCLEOTIDE 1222527 655346 416707 255723 315037 277085 215793 521644 958832 757267 137670 439293 31597 37211 177857 28633 26801 22220 529833 218877 761663 935967 850400 1279500 324592 376137 716194 886395 687153 843961 303101 20884 59795 307820 96222 32728 1147304 731897 707538 938124 766449 740776 1178217 829148 650213 790629 379058 294161 237573 748211 643124 143843 300128 329330 2168167 2056682 1501212 1303484 1183240 1331494 705679 690077 1103087 1739729 914827 1947848 679776 500953 455503 641232 744202 768005 565736 704559 676549 791103 1170905 1372110 499975 274165 718205 432547 228356 1620675 318328 65357 385349 273585 98812 77069 NICOTINATE 6126353 3041244 4931519 3848802 2131826 2442613 16845453 26410057 3550670 5837296 4727654 3236463 4627806 4742807 14127850 2447770 3469388 5758368 17421290 2535462 13215395 6320517 9467201 3203812 7175536 3850052 15858153 6552475 8780021 265264 1711851 3178673 3648303 2599662 2939213 2258860 4453252 2099433 4602372 13752184 10798435 5894071 7863732 7463083 7190689 2513750 3778777 4434847 4180683 4444488 1264790 2855123 6213941 7080390 8125558 1854329 3404293 4227730 4502155 5321419 11065273 6991399 1776433 3456393 810680 2367572 1027618 2576764 3470951 1819625 10663384 5988724 137010 4163699 5487205 2780476 23365395 5817477 7849777 2364534 3230227 1769174 3703889 2491277 NORLEUCINE 6533245338 5432490697 6992413873 4055463534 4864198442 5334235824 3607620166 5137706341 6429583804 9179402846 5098573335 5464646778 4879041467 5546288161 6066792983 7823676381 4963004498 5730789829 5613675517 5884723264 6273202037 6781462662 5408970779 9652414535 5998306393 6970874006 6775214044 11200415487 6845622952 8484976684 9732366134 4873787428 5934116417 12056104373 5617897581 6901889568 5817327074 6030419521 5899901034 6385330268 5778057147 5280152264 11917469746 6357562005 6287022344 8593566283 5613641938 6616944558 5959623011 10737921928 9624254952 6518694904 6306054069 6733953771 16021739473 9733483307 8125465852 6652972539 6134003951 8325944200 6240587022 6103561572 7910964466 7103966922 6973518863 12377230097 7696486345 7716726096 6989029425 6513741632 8298756504 8426674027 6558693878 7008897475 6685795919 6304747317 9573765726 7788710256 6142838831 6352870716 9167226323 6016296080 6579941945 14161172231 6781693790 5908307006 7887975159 6735622668 6485193805 7372322863 NORMETANEPHRINE 432819 695877 855630 250189 175529 688623 248490 289747 334670 709451 262501 51795 610281 190389 863581 311902 363095 47701 215151 113400 999552 181343 1063746 927351 519485 299209 113199 256758 398403 219232 254289 931210 NORVALINE 2853422571 2251768344 2802826315 1655515417 1973518386 2246312917 1540567909 2128014471 2796867623 3926340815 1972905683 2232852678 2061605606 2489767966 2667221534 3193974381 2058236742 2436729484 2376090785 2506734114 2811005381 2738991656 2309352441 4052991307 2396346854 2891140670 2725900240 5041142985 2837392785 3754746655 4233197067 2080669600 2578235375 5469416731 2505277832 3032700528 2272680540 2353813435 2368957063 2506984251 2410574458 2139796677 4895956628 2762977530 2595583088 3370246266 2211132789 2736134092 2622147048 4377357080 3843900918 2772101393 2732341641 2830044454 7194052335 3813682609 3407905829 2557193275 2257916843 3254976517 2363470863 2488259507 3216068738 2791891830 2694415049 5145087593 3107109561 3197942947 2882254839 2714425173 3553124894 3220968104 2635995388 2917798434 2730936103 2565739340 3856303672 3243841022 2527127429 2669609239 3977019789 2495080533 2775430386 6392739060 2980064708 2485193053 3405081154 2807481696 2797492697 3319930646 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2931288 2770729 4571416 4655402 3758500 5259109 2837506 3039242 3884890 5419923 4120469 4880764 5990544 2804736 3452383 6095038 3188247 3934349 3876492 3715527 3556868 3604446 2838208 3197048 5422654 3844349 3782243 4322484 3027303 3243865 4060168 5884689 6833414 4166786 3652350 4526280 7990080 5024021 3714509 3191566 2974314 4261156 2827756 2687315 3031861 3399908 3601897 5370587 4808406 4150776 3706928 3804751 4965953 5390851 4106776 3911742 4355433 3981351 5338736 4951760 3876904 3483351 4365907 3127539 3615148 6181397 4876274 3829822 5417597 4219125 3604965 4478326 SERINE +2 37729 44098 213056 239598 200399 36619 124718 46109 52960 196401 115838 403378 75751 121220 279870 125073 246686 152453 80585 43027 45365 430041 462655 639562 317386 262366 290177 63299 463276 566646 253178 161683 548031 403078 50661 54792 45375 837101 203883 821782 506325 350651 448291 SERINE +3 216124 345744 482638 135276 147253 122707 920900 1146648 1489153 994735 1024936 1203922 2457010 2249164 3100797 2842119 2173402 2025414 494524 339522 427232 607246 593914 557334 1599593 1455267 2073925 2589429 2379161 2383302 5415508 2395336 3197873 5749471 3010772 3423779 643201 850029 519494 416976 245048 504993 2348060 1694978 2309969 2159293 1680693 2288720 4675777 6115376 7855809 3993073 4213228 4870009 750180 729301 644363 344330 612648 609820 1618604 1644522 1878351 2286548 1809315 2862756 5716554 4890039 5149286 5119706 6249363 7510071 587024 618100 533072 741967 767056 940458 2072683 1697179 2126235 2034495 1913559 3039660 6326733 5230279 6943778 6128431 4211989 5475036 SEROTONIN 38781 52684 36887 24887 36206 48211 23075 28648 35871 37993 49324 48057 20729 37603 28309 39484 20898 18250 21122 23678 32965 22921 46724 17276 29984 16709 31678 17443 22524 37233 17104 30127 29047 18105 22547 17867 141487 36924 43512 38042 43637 23383 18682 20516 40121 18090 37625 31992 18681 20440 34827 20061 30294 41988 17103 25273 22826 33046 21215 25868 26999 30038 14352 41943 26578 49230 33180 31289 33071 18514 18838 21067 33393 48285 17665 62010 21609 25985 84030 24178 42439 24137 34487 36874 24063 30269 39812 TAURINE 8063768 5605711 4956159 4808852 4480005 3810649 9656950 15974690 16080550 22187118 12407907 11424095 17121491 19095781 25723263 31861127 17701462 19802154 5066053 4846262 8704754 7306242 6488500 9340120 12572304 13925009 17652455 15525497 17089674 16589744 40487171 19177514 22038694 39767290 32603164 23371933 6762872 5487453 5011704 5251221 4355339 5477841 19740728 18677475 13914297 19322223 13565934 14771578 18626714 40448102 36542123 19372725 20041359 24361616 8941339 10087794 6988932 6458717 5285700 6476894 13134087 12390257 15364634 16145876 14143221 20705200 24160324 21835947 19414195 20716814 25252905 27229564 7092539 7400573 6386459 7759042 12432171 8020380 12894090 13391104 14073111 13241546 14930683 32110997 27638746 23474250 31532849 26443484 19457905 21346450 TAURINE +1 29863 72372 80326 73015 143232 201372 53885 53589 105755 187289 47065 71107 106567 130545 75353 32645 70298 40763 73065 33620 85506 91353 205465 72665 85839 53298 38178 25801 30277 83846 102742 45430 54927 99248 54908 59886 174031 135409 129142 81663 87054 TAURINE +2 47196 43112 95281 72684 100373 86280 108290 THEOBROMINE 21127 16643 15311 17799 18268 11613 15286 22356 18626 18103 14150 28267 20085 15640 25528 14611 163303 26787 20969 19481 18098 18341 18797 34283 12640 19653 22388 THEOPHYLLINE 21127 16643 15311 17799 18268 11613 15286 22356 18626 18103 14150 28267 20085 15640 25528 14611 163303 26787 20969 19481 18098 18341 18797 17289 12640 19653 22388 THIAMINE MONOPHOSPHATE 7122143 7150156 7513645 8392517 9187098 7966253 4083473 3890839 3992051 3660781 4241842 4085225 1692929 1534817 1189540 1903995 1432122 1499408 9808170 8647343 8353353 7794304 9214876 7523718 3888771 3851364 4298521 3994308 3395444 4789028 1309494 1522844 1250634 1062309 1296468 1223141 9026845 8588448 8588766 8715567 8975904 8910193 3296322 4545039 4040613 4238208 3857020 3497025 1410997 848168 1495891 1450285 1294194 1306258 7348385 7743169 7343992 6983114 7349930 7119858 3264567 2866346 3488047 2730564 3411358 3393154 1458176 1047753 1425993 1193889 1025280 1282504 7248230 8048884 6920898 7634884 8167160 7121522 4176542 3658366 4131629 3605047 3770959 3459326 1290275 1291745 1460201 1341065 1477237 1257472 THIAMINE PYROPHOSPHATE 2018140 1122843 848127 944074 838245 827426 852374 1381605 1603287 2164425 886303 915435 774860 972494 948698 1494940 946455 1085245 1004508 1163070 1575645 1542997 1474543 2123235 1099597 1191766 1333640 1485660 1702136 1707459 2089202 1175806 1338290 2962412 1235785 1337991 971780 1034279 904608 1094634 1079823 1179685 1574925 1333815 1019038 1496833 1024263 1075412 978238 2573871 2013005 1136258 1220747 1316110 1605231 1860804 1963621 1459737 1185345 1339464 1398151 1267242 1406595 1772968 1427603 2302338 1512003 1645838 1227300 1412004 2034884 1486855 1140597 1566451 1229516 1481334 2127020 1864314 1142559 1005231 1154675 1123901 1202552 3980261 1637761 1190344 1785186 1331229 1110461 1180612 THIOPURINE S-METHYLETHER 13783 THIOUREA 38774 THREONINE 2347909882 1831591492 1979406389 1393014162 1450870895 1657394612 1114620511 1569898010 1874725212 2360610898 1459632716 1508605376 1323776666 1529744864 1759132820 1971951005 1371522392 1541998660 1935370332 1762993653 2214703962 2410244353 2025835341 3136633486 1715432638 1932345918 2050785161 2951870518 2253942888 2508455267 2578399738 1468228623 1702347283 3059475458 1665823595 2004255552 2017764908 1897388705 1931401521 1948637552 1726298405 1748562007 2794732371 1736919819 1771965992 2224101290 1638063726 1927058043 1728949908 2702023260 2411826029 1870687114 1855262733 1936236305 3762389684 2447951855 2238099740 1823807731 1680990193 2194519529 1517756706 1547681369 1856342692 1842476072 1772888713 2633583829 1949911807 1932062878 1782787860 1736548340 2221325656 2083487859 2003669852 2151495778 2130148497 2008915304 2650564963 2465389575 1741953001 1747959765 2264865563 1745448586 1863893719 3243798779 1926994717 1675165724 2139178865 1830774184 1747651157 1962666475 THYMINE 1855476 1930147 150118 833602 1158800 1854685 THYROTROPIN RELEASING HORMONE 813021 258948 248087 845420 68840 320808 957659 949012 1002924 331921 338226 955137 1319906 1355864 1301141 241612 735438 1099051 143039 78875 111425 321289 711892 381655 284072 255172 1043723 1545666 1010693 805659 1428944 268174 1364238 2018859 1610529 2977856 1314257 912465 812476 984492 760629 527547 582495 775039 1934087 435824 674503 1206511 4013035 3484405 1595779 847721 1417970 3560295 2255346 3551164 3957858 1955439 3256085 2561676 3035253 742221 2921352 6222714 1527711 5128870 6349019 3394196 5468878 7666524 6801477 8082041 946451 617409 488177 908984 170027 887282 1561533 1236233 1033851 372645 795632 1056188 3289106 1153127 3830793 2338290 1257479 2043382 TRANS-CINNAMALDEHYDE 405092 346728 287351 263648 198001 93240 174182 1445066 1373134 2869731 523931 1789822 218160 165775 196451 365036 1462350 2181235 122053 62326 1426874 509586 193711 633269 180633 169500 150982 1323395 1490938 1207223 168470 1423333 95936 2930439 528741 204635 83787 165232 297893 654547 212375 178441 2656142 400147 610324 2710049 473786 673966 705743 3823806 2696695 1585437 681594 541630 534077 3779568 650467 139318 128040 470935 547486 353609 1432689 1547526 1526883 3175107 2185417 1339255 177386 613154 140451 1448423 185775 112501 171090 122250 312562 269080 509564 391655 205113 159461 260079 1504895 554872 973356 1487366 946068 980095 TRIGONELLINE 32595352 18143367 18781614 20866288 19274825 14843778 18077105 21887378 18005430 24499449 11997490 11426250 20805410 12127192 17683860 71246664 17619834 13820125 17453550 19685104 26670752 26721384 28433838 31351553 20062284 15542083 19602592 13505304 14384196 19159668 23504921 11797088 15356164 22924701 14447466 18097025 29389413 25648156 19460476 20431918 18170125 21916768 23960798 18140937 18720127 22271057 13583212 15735344 15550905 30071486 25737924 11526483 17444888 15762232 24482144 30231402 27322833 27943038 24867941 23318689 13249103 15278463 20091537 20817472 16050939 25063946 18766193 14713116 12943433 12320405 22332875 16142456 30363616 36469789 25519158 29204788 44007558 36662418 20918278 17783094 14101539 15357052 22867907 63688230 22003637 23295624 30795886 21363035 23363108 15054035 TRYPTAMINE 55337 72295 84493 98722 161078 89502 99046 65359 80796 44860 37109 110797 93782 74322 52553 69971 42386 50455 60992 76087 71102 102172 39048 153617 95400 84126 137993 65594 40353 68501 53507 66570 69216 58904 58031 96640 84667 79596 103025 90958 69651 106817 150426 43837 61246 122748 73086 45220 100894 25163 120111 64338 120168 86930 71723 73483 37046 88365 58022 95533 39835 62599 64761 81468 52015 69893 74139 153345 135400 73843 53450 82578 31955 103472 173301 111528 74824 104848 261047 119991 86516 85454 63281 74708 68137 65050 145721 84602 61766 83923 TRYPTOPHAN 573004116 488598164 710124457 329045240 407447239 444516046 274991511 432787908 604217053 992539119 439534132 486070595 421278950 493890812 574815817 866770126 441141007 557368153 519565441 527051423 663972258 728389177 488443958 1167873199 564254642 672282661 707049282 1279048018 695163212 899637579 1222797066 451618954 583709281 1614147190 530888805 764872705 538821181 547007535 552914506 587671213 517451382 448336400 1496910857 609347141 625699960 918545472 501112522 616905090 561586275 1410311376 1202919858 633482264 630109693 685498596 2138056116 1041222186 786159978 628994687 543316389 876177003 574430083 538293577 771667853 691353878 702170205 1583131997 838424811 830808315 694336621 627211535 907800364 998129134 630883329 703591453 658253003 595732605 1013483657 783963713 581380835 623506075 983745737 588677838 638127406 1872930770 723461955 612227761 933302420 703920958 643404699 782157839 TRYPTOPHAN +2 592743 2370403 250958 209471 456161 193989 1048205 639550 1054466 679155 1515870 921219 1480925 1386114 2307624 988036 1853140 766253 1907817 376251 638927 1259197 320347 316172 316119 128523 1068691 450683 1161851 1774452 552226 1703252 1622905 2444563 961081 1871814 217794 937387 660622 896907 525185 334667 1952032 TRYPTOPHAN +3 248277 224681 318737 334656 229930 229269 217396 424105 279961 232989 183555 521887 205605 399966 283902 198228 230617 210250 233654 172899 340482 474985 231256 541832 293899 261115 TRYPTOPHAN +8 648219 168977 150308 198057 617060 458143 454786 315280 190142 178246 132459 317945 147017 118128 206181 281588 505424 174067 159733 208722 939163 167373 244894 157526 519848 161690 262967 531108 1897446 642156 238739 195348 442466 152500 TYROSINE 2115557022 1575299759 2033380868 1057913061 1254975915 1384346103 930321155 1559612446 2032387205 2773145045 1350249916 1548349182 1440112074 1659816960 2163409950 2578220990 1411101715 1706160192 1608194536 1617837206 1307744903 2092301250 1584106184 3146169247 1711306034 2083216994 2115839330 3870372222 2337238215 2928485445 3929463683 1405690881 1881765722 4389398318 1726752039 2510407020 1712139646 1681419209 1703492916 1739026461 1579469856 1414616228 4214788867 1938152924 1879307312 2679846822 1545711942 1909511916 1848824578 3715916310 3242476450 2020212693 1991555240 2123374695 6060395004 2978260947 2597782380 1938721064 1647697023 2550862334 1777316928 1710102751 2337116148 2324744663 2167610520 4277803084 2498905689 2471057729 2269487903 1994528653 3138992823 2849187997 1975921084 2122002630 2045282419 1860385748 3009302738 2609277253 1814881742 1932535722 2959483838 1821745568 1950052556 5156441756 2413831178 1869048556 2828658274 2178807349 1984060621 2441721355 TYROSINE +1 188971415 136921677 182458365 88496896 106387509 118160912 77644901 135901777 181420971 250937651 118379122 136261175 109079881 139187392 180435601 231510354 123091082 150798146 141049720 143149357 104042661 185915239 138224591 287768945 151964789 187915028 192624119 363771040 211265527 270197376 357547900 123230840 157848579 406798865 154494543 219725103 150665155 148579621 149580234 154466807 139028992 121071960 390988361 172879616 167569780 243689181 134582033 170047873 166955816 340734983 299960775 182007909 179721653 192715785 571805131 272506004 237495566 172064066 143203093 231003636 158165314 152198627 210862886 209305754 195850258 394099045 229219100 226769969 188941920 179984566 269764469 267407283 175357935 190401436 181656360 166327556 276739596 238222203 161789691 174791031 280721417 163320804 172492865 502122636 221889358 168448669 262984094 199644347 179231502 224552344 TYROSINE +3 486946 155791 160894 245343 158428 186354 428640 182579 458799 236690 171430 164067 288868 300355 329078 217274 150996 239632 412939 220262 228183 152627 434932 322477 135101 201150 522917 393108 413704 448928 174138 390153 272386 172065 183014 176473 289333 282407 305577 569406 227236 188500 157641 364138 264473 254840 246190 297121 178477 227648 219211 341903 295654 277851 134273 165921 301466 267033 635576 355259 286263 159264 189208 502502 321315 323899 482108 410637 TYROSINE +8 87755604 113505938 87191452 119293867 141320343 120840308 44880935 20382428 70379434 61721047 37252552 158606719 41838248 108471283 129433802 63212839 62380789 41819399 80310233 UREIDOPROPIONATE 58834 53029 28424 67008 26887 50025 96269 60198 58652 15987 31383 45138 54980 84098 32354 47550 40761 13950 78478 29231 23427 67720 49890 23212 19001 30161 77507 17816 31603 13853 54150 22211 30749 37261 37797 52976 37874 33502 55823 75030 99588 23456 28439 47308 21178 48462 84041 56895 60029 30381 38401 65206 33085 97047 122861 100779 121306 103876 31514 35705 89162 33122 53687 31196 32252 79851 43483 108139 70190 33799 45257 77226 84555 80267 80613 47428 21249 22021 51302 37769 20276 38549 40079 32022 32492 25483 69362 45620 UROCANATE 64882656 15277415 16002395 110214731 59959984 52063541 34312429 59029195 74292443 22004424 32225040 34372759 28035262 24632266 47984165 36347999 21332372 30769471 50959016 86981732 48639979 44603514 47945987 72603742 51146872 24226142 34560892 28685091 75864866 16677649 28987931 56807377 66721612 49300237 45790424 28214365 28553742 27860763 100453913 62097333 30306005 23341582 54954716 25500933 49277526 16826869 143899071 13066488 18464861 17881773 22150176 45605325 88871117 21533925 87822715 58163752 15606517 122389165 72781043 27485653 47233709 25457851 37169496 30960961 11288607 56670629 14773566 155631524 32489618 54052219 96277296 33133117 55814268 29806611 28893984 16548221 41172387 35828742 408357525 18425705 20432626 15874804 37862051 VALINE 2853422571 2251768344 2802826315 1655515417 1973518386 2246312917 1540567909 2128014471 2796867623 3926340815 1972905683 2232852678 2061605606 2489767966 2667221534 3193974381 2058236742 2436729484 2376090785 2506734114 2811005381 2738991656 2309352441 4052991307 2396346854 2891140670 2725900240 5041142985 2837392785 3754746655 4233197067 2080669600 2578235375 5469416731 2505277832 3032700528 2272680540 2353813435 2368957063 2506984251 2410574458 2139796677 4895956628 2762977530 2595583088 3370246266 2211132789 2736134092 2622147048 4377357080 3843900918 2772101393 2732341641 2830044454 7194052335 3813682609 3407905829 2557193275 2257916843 3254976517 2363470863 2488259507 3216068738 2791891830 2694415049 5145087593 3107109561 3197942947 2882254839 2714425173 3553124894 3220968104 2635995388 2917798434 2730936103 2565739340 3856303672 3243841022 2527127429 2669609239 3977019789 2495080533 2775430386 6392739060 2980064708 2485193053 3405081154 2807481696 2797492697 3319930646 VALINE +1 120701466 84617735 120785103 70677903 86612692 105968366 69846567 89750125 123782645 158871331 82227626 99263020 95963700 125221209 124242194 142090052 88299262 105777544 106427548 122336919 135983660 118852824 99254988 180805346 103549225 131522672 127463896 260225675 120579848 171467161 198409320 91910621 119818013 239699964 123947291 135020178 90059671 98793848 106545625 115707028 120663496 103751422 231811144 125687110 109768084 158240028 98805077 128043841 133463061 201209278 174782516 130361771 125862490 132410372 377028118 186224767 148060579 105221479 93948042 147257454 95751565 115650398 163506367 117494033 105499147 224543073 140704086 144498728 136170417 133675348 157672261 138618354 112432688 134149786 124140121 114354416 190919609 139216804 112142306 123139796 195444111 110738406 128926734 278160370 134923384 107481415 158964266 129950871 132707545 168792890 VALINE +2 713093 336447 474585 199963 1180867 1073754 529259 532325 1011213 1968422 451865 682965 1267846 1644188 1867941 1433664 332990 1488593 635840 1200482 1446176 786078 946709 1568592 1082162 1274402 1398090 3171412 506978 940161 1298305 1065315 1346310 3688760 1700697 865695 247781 1405424 683292 809068 1375748 917830 2179635 1274431 1354002 1665836 757137 1444771 1162050 2229287 2083098 1027521 1616065 1501469 5433688 2607791 1036633 812843 1037126 1231178 1235655 916639 2291920 404458 482352 2807164 1179458 990766 1811079 1589565 1927342 2128138 1223980 1071386 1047492 1101807 2528850 793015 863968 868171 2739851 1118306 1707558 4431666 1498720 835756 2350758 1936516 1545139 2077266 XANTHOSINE 125709 74435 151088 40096 81547 125297 31330 25048 93666 11826 14611 67119 41428 25973 19561 15336 27925 106392 15625 77920 176079 36109 95712 83662 82727 115021 89762 52452 30313 32286 11078 16916 17586 12400 118481 131252 35556 91780 73419 110479 52035 94640 60751 24942 28314 56669 29224 34070 23405 19110 68864 76929 17588 231285 186207 111629 176303 36571 79677 90030 57890 68770 12002 139416 85938 33375 32172 58168 74670 61311 95298 68502 80455 27023 61368 50591 34796 58774 84789 27126 49131 54059 21868 45848 36948 18068 45176 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet CAS_ID SMILES Formula C13_label HMDB PubChem_CID ChEBI KEGG RT m/z 1-METHYL-L-HISTIDINE 1-Methylhistidine 332-80-9 [H][C@](N)(CC1=CN=CN1C)C(O)=O C7H11N3O2 HMDB0000479 64969 27596 C01152 7.1 170.0924 1-METHYLADENOSINE 1-Methyladenosine 5063510 CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N C11H15N5O4 HMDB0003331 27476 16020 C02494 3.2 282.11968 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE N-Acetyl-beta-glucosaminylamine 4229-38-3 CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O C8H16N2O5 HMDB0001104 439454 15947 C01239 7.1 221.1132 2-QUINOLINECARBOXYLATE Quinaldic acid 34249 OC(=O)C1=NC2=C(C=CC=C2)C=C1 C10H7NO2 HMDB0000842 7124 18386 C06325 3.1 174.05496 2,6-DIHYDROXYPYRIDINE 2,6-Dihydroxypyridine 10357-84-3 C1=CC(=O)NC(=C1)O C5H5NO2 69371 17681 C03056 5.2 112.0393 3-HYDROXYPHENYLACETATE 3-Hydroxyphenylacetic acid 621-37-4 OC(=O)CC1=CC(O)=CC=C1 C8H8O3 HMDB0000440 12122 17445 C05593 2.2 153.05462 3-METHOXYTYRAMINE 3-Methoxytyramine 1477-68-5 COC1=C(O)C=CC(CCN)=C1 C9H13NO2 HMDB0000022 1669 742324 C05587 6.7 168.10191 3-METHYL-L-HISTIDINE 3-Methylhistidine 368-16-1 [H][C@](N)(CC1=CN=CN1C)C(O)=O C7H11N3O2 HMDB0000479 64969 27596 C01152 7.7 170.0924 3-METHYLADENINE 3-Methyladenine 5142-23-4 CN1C=NC(N)=C2N=CN=C12 C6H7N5 HMDB0011600 1673 38635 C00913 3.9 150.07742 3-METHYLCROTONYL-COA 3-Methylbut-2-enoyl-CoA 793193-48-3 CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C C26H42N7O17P3S HMDB0001493 9549326 15486 C03069 7.2 850.16435 3-SULFINOALANINE 3-Sulfino-alanine 1115-65-7 N[C@@H](CS(O)=O)C(O)=O C3H7NO4S HMDB0000996 1549098 16345 C00606 10.1 154.01685 3/HYDROXYKYNURENINE Hydroxykynurenine NC(CC(=O)C1=C(N)C(O)=CC=C1)C(O)=O C10H12N2O4 HMDB0000732 89 1547 C02794 7.6 225.08698 4-ACETAMIDOBUTANOATE 4-Acetamidobutanoic acid 3025-96-5 CC(=O)NCCCC(O)=O C6H11NO3 HMDB0003681 18189 17645 C02946 4.9 146.08117 4-GUANIDINOBUTANOATE 4-Guanidinobutanoic acid 463-00-3 NC(=N)NCCCC(O)=O C5H11N3O2 HMDB0003464 500 15728 C01035 9.5 146.0924 4-IMIDAZOLEACETATE Imidazoleacetic acid 645-65-8 OC(=O)CC1=CN=CN1 C5H6N2O2 HMDB0002024 96215 16974 C02835 7.3 127.0502 4-PYRIDOXATE 4-Pyridoxic acid 82-82-6 CC1=NC=C(CO)C(C(O)=O)=C1O C8H9NO4 HMDB0000017 6723 17405 C00847 2.6 184.06043 4-QUINOLINECARBOXYLATE 4-Quinolinecarboxylic acid 486-74-8 OC(=O)C1=CC=NC2=CC=CC=C12 C10H7NO2 HMDB0257047 10243 18311 C06414 3.4 174.05496 5-AMINOPENTANOATE 5-Aminopentanoic acid 660-88-8 NCCCCC(=O)O C5H11NO2 HMDB0003355 138 15887 C00431 9.8 118.08626 5-HYDROXYINDOLEACETATE 5-Hydroxyindoleacetic acid 54-16-0 OC(=O)CC1=CNC2=C1C=C(O)C=C2 C10H9NO3 HMDB0000763 1826 27823 C05635 8.3 192.06552 5-METHYLCYTOSINE 5-Methylcytosine -491605 CC1=C(N)NC(=O)N=C1 C5H7N3O HMDB0002894 65040 27551 C02376 4.9 126.06619 5-METHYLCYTOSINE +1 5-Methylcytosine -491605 CC1=C(N)NC(=O)N=C1 +1 HMDB0002894 65040 27551 C02376 4.9 127.06954 5-METHYLCYTOSINE +2 5-Methylcytosine -491605 CC1=C(N)NC(=O)N=C1 +2 HMDB0002894 65040 27551 C02376 4.9 128.07289 5-METHYLCYTOSINE +3 5-Methylcytosine -491605 CC1=C(N)NC(=O)N=C1 +3 HMDB0002894 65040 27551 C02376 4.9 129.07624 5-METHYLCYTOSINE +5 5-Methylcytosine -491605 CC1=C(N)NC(=O)N=C1 +5 HMDB0002894 65040 27551 C02376 4.9 131.08294 5-VALEROLACTONE 5-Valerolactone 542-28-9 O=C1CCCCO1 C5H8O2 HMDB0250981 10953 16545 C02240 2.7 101.05971 5'-DEOXYADENOSINE 5'-Deoxyadenosine 4754-39-6 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12 C10H13N5O3 HMDB0001983 439182 17319 C05198 3.2 252.10912 ADENINE Adenine 73-24-5 NC1=C2NC=NC2=NC=N1 C5H5N5 HMDB0000034 190 16708 C00147 4.4 136.06177 ADENINE +1 Adenine 73-24-5 NC1=C2NC=NC2=NC=N1 [C13]C4H5N5 +1 HMDB0000034 190 16708 C00147 4.4 137.06513 ADENINE +2 Adenine 73-24-5 NC1=C2NC=NC2=NC=N1 [C13]2C3H5N5 +2 HMDB0000034 190 16708 C00147 4.4 138.06848 ADENOSINE Adenosine 58-61-7 NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 C10H13N5O4 HMDB0000050 60961 16335 C00212 4.2 268.10403 ADENOSINE 5'-DIPHOSPHATE ADP 58-64-0 NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O C10H15N5O10P2 HMDB0001341 6022 16761 C00008 11.1 428.03669 ADENOSINE DIPHOSPHATE RIBOSE ADP-ribose 20762-30-5 NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1 C15H23N5O14P2 HMDB0001178 192 16960 C00301 10.5 560.07895 ADENOSINE TRIPHOSPHATE ATP 56-65-5 NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O C10H16N5O13P3 HMDB0000538 5957 15422 C00002 12.1 508.00302 ADENOSINE-MONOPHOSPHATE AMP 61-19-8 NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 C10H14N5O7P HMDB0000045 6083 16027 C00020 9.7 348.07036 AICAR AICAR 3031-94-5 NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O C9H15N4O8P HMDB0001517 65110 18406 C04677 10.6 339.07003 ALANINE Alanine C[C@H](N)C(O)=O C3H7NO2 HMDB0000161 5950 16977 C00041 9 90.05496 ALANINE +1 Alanine C[C@H](N)C(O)=O [13C]C2H7NO2 +1 HMDB0000161 5950 16977 C00041 9.5 91.05831 ALANINE +2 Alanine C[C@H](N)C(O)=O [13C]2CH7NO2 +2 HMDB0000161 5950 16977 C00041 9 92.06166 ALANINE +3 Alanine C[C@H](N)C(O)=O [13C]3H7NO2 +3 HMDB0000161 5950 16977 C00041 9.5 93.06502 ALLOTHREONINE Allothreonine 24830-94-2 C[C@H](O)[C@H](N)C(O)=O C4H9NO3 HMDB0004041 99289 28718 C05519 8.8 120.06552 AMINOADIPATE Aminoadipic acid 542-32-5 N[C@@H](CCCC(O)=O)C(O)=O C6H11NO4 HMDB0000510 469 37024 C00956 10.3 162.07608 ANSERINE Anserine 584-85-0 CN1C=NC=C1C[C@H](NC(=O)CCN)C(O)=O C10H16N4O3 HMDB0000194 112072 18323 C01262 8.7 241.12952 ARGININE Arginine 74-79-3 N[C@@H](CCCNC(N)=N)C(O)=O C6H14N4O2 HMDB0000517 6322 16467 C00062 16.2 175.11895 ARGININE +1 Arginine 74-79-3 N[C@@H](CCCNC(N)=N)C(O)=O [C13][C12]5H14N4O2 +1 HMDB0000517 6322 16467 C00062 16.2 176.12231 ARGININE +2 Arginine 74-79-3 N[C@@H](CCCNC(N)=N)C(O)=O [C13]2[C12]4H14N4O2 +2 HMDB0000517 6322 16467 C00062 16.2 177.12566 ARGININE +3 Arginine 74-79-3 N[C@@H](CCCNC(N)=N)C(O)=O [C13]3[C12]3H14N4O2 +3 HMDB0000517 6322 16467 C00062 16.2 178.12902 ARGININOSUCCINIC ACID Argininosuccinic acid C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O C10H18N4O6 HMDB0000052 16950 184023 C03406 11.8 291.12991 ARGININOSUCCINIC ACID +1 Argininosuccinic acid C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O +1 HMDB0000052 16950 184023 C03406 12.1 292.13326 ARGININOSUCCINIC ACID +2 Argininosuccinic acid C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O +2 HMDB0000052 16950 184023 C03406 12.1 293.13661 ARGININOSUCCINIC ACID +3 Argininosuccinic acid C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O +3 HMDB0000052 16950 184023 C03406 12.1 294.13996 ARGININOSUCCINIC ACID +4 Argininosuccinic acid C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O +4 HMDB0000052 16950 184023 C03406 12.1 295.14331 ARGININOSUCCINIC ACID +5 Argininosuccinic acid C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O +5 HMDB0000052 16950 184023 C03406 12.1 296.14666 ARGININOSUCCINIC ACID +6 Argininosuccinic acid C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O +6 HMDB0000052 16950 184023 C03406 12.1 297.15001 ARGININOSUCCINIC ACID +8 Argininosuccinic acid C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O +8 HMDB0000052 16950 184023 C03406 12.1 299.15671 ASPARAGINE Asparagine 70-47-3 N[C@@H](CC(N)=O)C(O)=O C4H8N2O3 HMDB0000168 6267 17196 C00152 9.6 133.06077 ASPARAGINE +1 Asparagine 70-47-3 N[C@@H](CC(N)=O)C(O)=O [C13]C3H8N2O3 +1 HMDB0000168 6267 17196 C00152 10 134.06412 ASPARAGINE +2 Asparagine 70-47-3 N[C@@H](CC(N)=O)C(O)=O [C13]2C2H8N2O3 +2 HMDB0000168 6267 17196 C00152 10 135.06748 ASPARAGINE +3 Asparagine 70-47-3 N[C@@H](CC(N)=O)C(O)=O [C13]3CH8N2O3 +3 HMDB0000168 6267 17196 C00152 10 136.07083 ASPARAGINE +4 Asparagine 70-47-3 N[C@@H](CC(N)=O)C(O)=O [C13]4H8N2O3 +4 HMDB0000168 6267 17196 C00152 10 137.07419 ASPARTATE Aspartic acid 56-84-8 N[C@@H](CC(O)=O)C(O)=O C4H7NO4 HMDB0000191 5960 17053 C00049 10.3 134.04478 ASPARTATE +1 Aspartic acid 56-84-8 N[C@@H](CC(O)=O)C(O)=O [13]CC3H7NO4 +1 HMDB0000191 5960 17053 C00049 10.4 135.04814 ASPARTATE +2 Aspartic acid 56-84-8 N[C@@H](CC(O)=O)C(O)=O [13]C2C2H7NO4 +2 HMDB0000191 5960 17053 C00049 10.4 136.05149 ASPARTATE +3 Aspartic acid 56-84-8 N[C@@H](CC(O)=O)C(O)=O [13]C3CH7NO4 +3 HMDB0000191 5960 17053 C00049 10.4 137.05485 ASPARTATE +4 Aspartic acid 56-84-8 N[C@@H](CC(O)=O)C(O)=O [13]C4H7NO4 +4 HMDB0000191 5960 17053 C00049 10.4 138.0582 BENZYLAMINE Benzylamine 100-46-9 NCC1=CC=CC=C1 C7H9N HMDB0033871 7504 40538 C15562 4.2 108.08078 BETA-ALANINE beta-Alanine 107-95-9 NCCC(O)=O C3H7NO2 HMDB0000056 239 16958 C00099 9.7 90.05496 BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE NAD 53-84-9 NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O C21H27N7O14P2 HMDB0000902 5893 44215 C00003 9.9 664.1164 BETAINE Betaine 107-43-7 C[N+](C)(C)CC([O-])=O C5H11NO2 HMDB0000043 247 17750 C00719 5.8 118.08626 BIOTIN Biotin 58-85-5 [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 C10H16N2O3S HMDB0000030 171548 15956 C00120 4.9 245.09544 CARNOSINE Carnosine 305-84-0 NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O C9H14N4O3 HMDB0000033 439224 15727 C00386 10 227.11387 CDP-ETHANOLAMINE CDP-Ethanolamine 3036-18-8 NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O C11H20N4O11P2 HMDB0001564 123727 16732 C00570 11.6 447.06766 CITICOLINE CDP-choline 987-78-0 C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O C14H26N4O11P2 HMDB0001413 13804 16436 C00307 10.6 489.11461 CITRULLINE Citrulline 372-75-8 N[C@@H](CCCNC(N)=O)C(O)=O C6H13N3O3 HMDB0000904 9750 16349 C00327 10.2 176.10297 CORTISOL Cortisol 50-23-7 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O C21H30O5 HMDB0000063 5754 17650 C00735 2.3 363.2166 CORTISOL 21-ACETATE Cortisol 21-acetate 18325 CC(=O)OCC(=O)1(O)CC23CCC4=CC(=O)CC4(C)3(O)C21C C23H32O6 5744 17609 C02821 2.1 405.22717 CREATINE Creatine 57-00-1 CN(CC(O)=O)C(N)=N C4H9N3O2 HMDB0000064 586 16919 C00300 9.1 132.07675 CREATINE +1 Creatine 57-00-1 CN(CC(O)=O)C(N)=N [C13]C3H9N3O2 +1 HMDB0000064 586 16919 C00300 9.1 131.06555 CREATINE +2 Creatine 57-00-1 CN(CC(O)=O)C(N)=N [C13]2C2H9N3O2 +2 HMDB0000064 586 16919 C00300 9.1 132.06891 CREATININE Creatinine 60-27-5 CN1CC(=O)NC1=N C4H7N3O HMDB0000562 588 16737 C00791 4.5 114.06619 CYSTATHIONINE Cystathionine 56-88-2 N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O C7H14N2O4S HMDB0000099 439258 17482 C02291 11.5 223.0747 CYSTATHIONINE +1 Cystathionine 56-88-2 N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O [C13]C6H14N2O4S +1 HMDB0000099 439258 17482 C02291 11.5 224.07806 CYSTATHIONINE +3 Cystathionine 56-88-2 N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O [C13]3C4H14N2O4S +3 HMDB0000099 439258 17482 C02291 9.3 226.08477 CYTIDINE Cytidine 65-46-3 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O C9H13N3O5 HMDB0000089 6175 17562 C00475 6.6 244.0928 CYTIDINE 2',3'-CYCLIC PHOSPHATE 2',3' cyclic CMP 15718-51-1 C1=CN(C(=O)N=C1N)C2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O C9H12N3O7P HMDB0011691 53481030 177258 C02354 8.2 306.04856 CYTOSINE Cytosine 71-30-7 NC1=CC=NC(=O)N1 C4H5N3O HMDB0000630 597 16040 C00380 5.9 112.05054 D-ALANINE D-Alanine 338-69-2 C[C@@H](N)C(O)=O C3H7NO2 HMDB0001310 71080 15570 C00133 9.1 90.05496 D-MANNOSAMINE 2-Amino-2-deoxy-D-mannose N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O C6H13NO5 440049 62324 C03570 8.4 180.08665 DEOXYADENOSINE Deoxyadenosine -343801 NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC=N1 C10H13N5O3 HMDB0000101 13730 17256 C00559 3.5 252.10912 DEOXYADENOSINE MONOPHOSPHATE dAMP 653-63-4 NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1 C10H14N5O6P HMDB0000905 12599 17713 C00360 9 332.07545 DEOXYADENOSINE TRIPHOSPHATE dATP 1927-31-7 NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 C10H16N5O12P3 HMDB0001532 15993 16284 C00131 11.4 492.00811 DEOXYCYTIDINE Deoxycytidine 951-77-9 NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1 C9H13N3O4 HMDB0000014 13711 15698 C00881 5.3 228.09788 DEOXYCYTIDINE MONOPHOSPHATE dCMP 1032-65-1 NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1 C9H14N3O7P HMDB0001202 13945 15918 C00239 10.5 308.06421 DEOXYGUANOSINE-MONOPHOSPHATE dGMP -364411 NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1 C10H14N5O7P HMDB0001044 65059 16192 C00362 9.7 348.07036 DIAMINOPIMELATE 2,6-Diaminopimelic acid 583-93-7 N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O C7H14N2O4 HMDB0001370 865 23673 C00666 12.4 191.10263 DIETHANOLAMINE Diethanolamine 111-42-2 OCCNCCO C4H11NO2 HMDB0004437 8113 28123 C06772 7.7 106.08626 DIHYDROBIOPTERIN 4a-Carbinolamine tetrahydrobiopterin 6779-87-9 C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O C9H13N5O3 HMDB0000038 119055 43029 C02953 7.1 240.10912 ETHYL 3-INDOLEACETATE Ethyl 3-indoleacetate 778-82-5 CCOC(=O)CC1=CNC2=CC=CC=C12 C12H13NO2 HMDB0304946 13067 166543 2.1 204.10191 FAD FAD 146-14-5 CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 C27H33N9O15P2 HMDB0001248 643975 16238 C00016 8 786.16441 FOLATE Folic acid 59-30-3 NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1 C19H19N7O6 HMDB0000121 6037 27470 C00504 11.7 442.14696 GALACTOSAMINE Galactosamine 7535-00-4 C(C1C(C(C(C(O1)O)N)O)O)O C6H13NO5 24154 60312 C02262 8.9 180.08665 GAMMA-AMINOBUTYRATE gamma-Aminobutyric acid 20791 NCCCC(=O)O C4H9NO2 HMDB0000112 119 16865 C00334 9.7 104.07061 GAMMA-AMINOBUTYRATE +1 gamma-Aminobutyric acid 20791 NCCCC(=O)O +1 HMDB0000112 119 16865 C00334 9.7 105.07396 GAMMA-AMINOBUTYRATE +2 gamma-Aminobutyric acid 20791 NCCCC(=O)O +2 HMDB0000112 119 16865 C00334 9.7 106.07731 GAMMA-AMINOBUTYRATE +3 gamma-Aminobutyric acid 20791 NCCCC(=O)O +3 HMDB0000112 119 16865 C00334 9.7 107.08066 GAMMA-AMINOBUTYRATE +4 gamma-Aminobutyric acid 20791 NCCCC(=O)O +4 HMDB0000112 119 16865 C00334 9.7 108.08401 GLN Glutamine N[C@@H](CCC(N)=O)C(O)=O C5H10N2O3 HMDB0000641 5961 18050 C00064 9.5 147.07642 GLN +1 Glutamine N[C@@H](CCC(N)=O)C(O)=O [C13]C4H10N2O3 +1 HMDB0000641 5961 18050 C00064 10.2 148.07977 GLN +2 Glutamine N[C@@H](CCC(N)=O)C(O)=O [C13]2C3H10N2O3 +2 HMDB0000641 5961 18050 C00064 10.2 149.08313 GLN +3 Glutamine N[C@@H](CCC(N)=O)C(O)=O [C13]3C2H10N2O3 +3 HMDB0000641 5961 18050 C00064 10.2 150.08648 GLN +4 Glutamine N[C@@H](CCC(N)=O)C(O)=O [C13]4CH10N2O3 +4 HMDB0000641 5961 18050 C00064 10.2 151.08984 GLN +5 Glutamine N[C@@H](CCC(N)=O)C(O)=O [C13]5H10N2O3 +5 HMDB0000641 5961 18050 C00064 10.2 152.09319 GLUCOSAMINATE Glucosaminic acid 3646-68-2 C(C(C(C(C(C(=O)O)N)O)O)O)O C6H13NO6 HMDB0341308 73563 17784 C03752 11.2 196.08156 GLUCOSAMINE Glucosamine 3416-24-8 N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O C6H13NO5 HMDB0001514 439213 47977 C00329 8.6 180.08665 GLUCOSAMINE 6-PHOSPHATE Glucosamine 6-phosphate 3616-42-0 N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O C6H14NO8P HMDB0001254 439217 15873 C00352 11.5 258.03843 GLUCOSAMINE 6-PHOSPHATE +5 Glucosamine 6-phosphate 3616-42-0 N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O [C13]5CH14NO8P +5 HMDB0001254 439217 15873 C00352 8.64 263.0552 GLUCOSAMINE 6-PHOSPHATE +6 Glucosamine 6-phosphate 3616-42-0 N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O [C13]6H14NO8P +6 HMDB0001254 439217 15873 C00352 8.64 264.05855 GLUTAMATE Glutamic acid 56-86-0 N[C@@H](CCC(O)=O)C(O)=O C5H9NO4 HMDB0000148 33032 16015 C00025 10 148.06043 GLUTAMATE +1 Glutamic acid 56-86-0 N[C@@H](CCC(O)=O)C(O)=O +1 HMDB0000148 33032 16015 C00025 10 149.06379 GLUTAMATE +2 Glutamic acid 56-86-0 N[C@@H](CCC(O)=O)C(O)=O +2 HMDB0000148 33032 16015 C00025 10 150.06714 GLUTAMATE +3 Glutamic acid 56-86-0 N[C@@H](CCC(O)=O)C(O)=O +3 HMDB0000148 33032 16015 C00025 10 151.0705 GLUTAMATE +4 Glutamic acid 56-86-0 N[C@@H](CCC(O)=O)C(O)=O +4 HMDB0000148 33032 16015 C00025 10 152.07385 GLUTAMATE +5 Glutamic acid 56-86-0 N[C@@H](CCC(O)=O)C(O)=O +5 HMDB0000148 33032 16015 C00025 10 153.07721 GLUTAMINE Glutamine 56-85-9 N[C@@H](CCC(N)=O)C(O)=O C5H10N2O3 HMDB0000641 5961 18050 C00064 9.5 147.07642 GLUTARYLCARNITINE CAR DC5:0 102636-82-8 C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCC(=O)O C12H21NO6 HMDB0013130 71317118 82952 8.5 276.14416 GLUTATHIONE REDUCED Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O C10H17N3O6S HMDB0000125 124886 16856 C00051 9.9 308.09108 GLUTATHIONE REDUCED +1 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +1 HMDB0000125 124886 16856 C00051 9.9 309.09443 GLUTATHIONE REDUCED +10 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +10 HMDB0000125 124886 16856 C00051 9.9 318.12458 GLUTATHIONE REDUCED +2 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +2 HMDB0000125 124886 16856 C00051 9.9 310.09778 GLUTATHIONE REDUCED +3 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +3 HMDB0000125 124886 16856 C00051 9.9 311.10113 GLUTATHIONE REDUCED +4 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +4 HMDB0000125 124886 16856 C00051 9.9 312.10448 GLUTATHIONE REDUCED +5 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +5 HMDB0000125 124886 16856 C00051 9.9 313.10783 GLUTATHIONE REDUCED +6 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +6 HMDB0000125 124886 16856 C00051 9.9 314.11118 GLUTATHIONE REDUCED +7 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +7 HMDB0000125 124886 16856 C00051 9.9 315.11453 GLUTATHIONE REDUCED +8 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +8 HMDB0000125 124886 16856 C00051 9.9 316.11788 GLUTATHIONE REDUCED +9 Glutathione 70-18-8 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O +9 HMDB0000125 124886 16856 C00051 9.9 317.12123 GLYCINE Glycine 56-40-6 NCC(O)=O C2H5NO2 HMDB0000123 750 15428 C00037 10 76.0393 GLYCINE +1 Glycine 56-40-6 NCC(O)=O [C13]CH5NO2 +1 HMDB0000123 750 15428 C00037 10 77.04266 GLYCINE +2 Glycine 56-40-6 NCC(O)=O [C13]2H5NO2 +2 HMDB0000123 750 15428 C00037 10 78.04601 GSH Glutathione NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O C10H17N3O6S HMDB0062697 745 57925 C00051 10 308.09108 GSH +1 Glutathione NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O [C13]C9H17N3O6S +1 HMDB0062697 745 57925 C00051 10 309.09444 GSH +10 Glutathione NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O [C13]10H17N3O6S +10 HMDB0062697 745 57925 C00051 10 318.12463 GSH +2 Glutathione NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O [C13]2C8H17N3O6S +2 HMDB0062697 745 57925 C00051 10 310.09779 GSH +3 Glutathione NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O [C13]3C7H17N3O6S +3 HMDB0062697 745 57925 C00051 10 311.10115 GSH +4 Glutathione NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O [C13]4C6H17N3O6S +4 HMDB0062697 745 57925 C00051 10 312.1045 GSH +5 Glutathione NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O [C13]5C5H17N3O6S +5 HMDB0062697 745 57925 C00051 10 313.10786 GSH +6 Glutathione NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O [C13]6C4H17N3O6S +6 HMDB0062697 745 57925 C00051 10 314.11121 GSH +7 Glutathione NC(CCC(O)=NC(CS)C(O)=NCC(O)=O)C(O)=O [C13]7C3H17N3O6S +7 HMDB0062697 745 57925 C00051 10 315.11457 GSSG Oxidized glutathione N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O C20H32N6O12S2 HMDB0003337 65359 17858 C00127 12.4 613.15924 GUANIDINOACETATE Guanidoacetic acid 352-97-6 NC(=N)NCC(O)=O C3H7N3O2 HMDB0000128 763 16344 C00581 10.1 118.0611 GUANIDINOSUCCINATE Guanidinosuccinic acid 6133-30-8 NC(=N)N[C@@H](CC(O)=O)C(O)=O C5H9N3O4 HMDB0003157 439918 17072 C03139 10.8 176.06658 GUANINE Guanine 73-40-5 NC1=NC(=O)C2=C(N1)N=CN2 C5H5N5O HMDB0000132 764 16235 C00242 7 152.05669 GUANOSINE Guanosine 118-00-3 NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 C10H13N5O5 HMDB0000133 6802 16750 C00387 7.6 284.09895 GUANOSINE MONOPHOSPHATE GMP 85-32-5 NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 C10H14N5O8P HMDB0001397 6804 17345 C00144 11.9 364.06528 HISTAMINE Histamine 51-45-6 NCCC1=CNC=N1 C5H9N3 HMDB0000870 774 18295 C00388 10.8 112.08692 HISTIDINE Histidine 71-00-1 N[C@@H](CC1=CN=CN1)C(O)=O C6H9N3O2 HMDB0000177 6274 15971 C00135 9.1 156.07675 HISTIDINOL L-Histidinol 4836-52-6 N[C@H](CO)CC1=CNC=N1 C6H11N3O HMDB0003431 165271 16255 C00860 8.3 142.09749 HOMOCYSTEINE Homocysteine 454-29-5 N[C@@H](CCS)C(O)=O C4H9NO2S HMDB0000742 778 17230 C05330 10.7 136.04268 HOMOCYSTEINE +1 Homocysteine 454-29-5 N[C@@H](CCS)C(O)=O +1 HMDB0000742 778 17230 C05330 10.7 137.04603 HOMOCYSTEINE +2 Homocysteine 454-29-5 N[C@@H](CCS)C(O)=O +2 HMDB0000742 778 17230 C05330 10.7 138.04938 HOMOCYSTEINE +3 Homocysteine 454-29-5 N[C@@H](CCS)C(O)=O +3 HMDB0000742 778 17230 C05330 10.7 139.05273 HOMOCYSTEINE +4 Homocysteine 454-29-5 N[C@@H](CCS)C(O)=O +4 HMDB0000742 778 17230 C05330 10.7 140.05608 HOMOCYSTEINE THIOLACTONE L-Homocysteine thiolactone 3622-59-1 NC1CCSC1=O C4H7NOS HMDB0002287 134505 60315 2.8 118.03211 HYDROXYKYNURENINE Hydroxykynurenine 484-78-6 NC(CC(=O)C1=C(N)C(O)=CC=C1)C(O)=O C10H12N2O4 HMDB0000732 89 1547 C02794 7.9 225.08698 HYPOTAURINE Hypotaurine 300-84-5 NCCS(O)=O C2H7NO2S HMDB0000965 107812 16668 C00519 9.4 110.02703 HYPOTAURINE +1 Hypotaurine 300-84-5 NCCS(O)=O +1 HMDB0000965 107812 16668 C00519 9.4 111.03038 HYPOTAURINE +2 Hypotaurine 300-84-5 NCCS(O)=O +2 HMDB0000965 107812 16668 C00519 9.4 112.03373 HYPOXANTHINE Hypoxanthine 68-94-0 OC1=NC=NC2=C1NC=N2 C5H4N4O HMDB0000157 790 17368 C00262 5.3 137.04579 INDOLE-3-ACETAMIDE 1H-Indole-3-acetamide 879-37-8 NC(=O)CC1=CNC2=C1C=CC=C2 C10H10N2O HMDB0029739 397 16031 C02693 2.7 175.08659 INDOLE-3-ACETATE Indoleacetic acid 6505-45-9 OC(=O)CC1=CNC2=C1C=CC=C2 C10H9NO2 HMDB0000197 802 16411 C00954 4.8 176.07061 INDOLE-3-ETHANOL Tryptophanol 526-55-6 OCCC1=CNC2=C1C=CC=C2 C10H11NO HMDB0003447 10685 17890 C00955 2.4 162.09134 INDOLE-3-METHYL ACETATE Indole-3-methyl acetate 1912-33-0 COC(=O)CC1=CNC2=C1C=CC=C2 C11H11NO2 HMDB0029738 74706 72782 2.1 190.08626 INOSINE Inosine 58-63-9 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(O)N=CN=C12 C10H12N4O5 HMDB0000195 6021 17596 C00294 6.1 269.08805 INOSINE-MONOPHOSPHATE IMP 131-99-7 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O C10H13N4O8P HMDB0000175 8582 17202 C00130 11 349.05438 ISOLEUCINE Isoleucine 73-32-5 CC[C@H](C)[C@@H](C(=O)O)N C6H13NO2 HMDB0000172 6306 17191 C00407 6.1 132.10191 KYNURENINE Kynurenine 2922-83-0 N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O C10H12N2O3 HMDB0000684 161166 16946 C00328 5.7 209.09207 L-CARNITINE Carnitine 541-15-1 C[N+](C)(C)C[C@H](O)CC([O-])=O C7H15NO3 HMDB0000062 10917 16347 C00318 7.7 162.11247 L-CARNITINE +1 Carnitine 541-15-1 C[N+](C)(C)C[C@H](O)CC([O-])=O +1 HMDB0000062 10917 16347 C00318 7.7 163.11582 L-CARNITINE +2 Carnitine 541-15-1 C[N+](C)(C)C[C@H](O)CC([O-])=O +2 HMDB0000062 10917 16347 C00318 7.7 164.11917 L-CARNITINE +3 Carnitine 541-15-1 C[N+](C)(C)C[C@H](O)CC([O-])=O +3 HMDB0000062 10917 16347 C00318 7.7 165.12252 L-CARNITINE +4 Carnitine 541-15-1 C[N+](C)(C)C[C@H](O)CC([O-])=O +4 HMDB0000062 10917 16347 C00318 7.7 166.12587 L-CARNITINE +5 Carnitine 541-15-1 C[N+](C)(C)C[C@H](O)CC([O-])=O +5 HMDB0000062 10917 16347 C00318 7.7 167.12922 L-CARNITINE +6 Carnitine 541-15-1 C[N+](C)(C)C[C@H](O)CC([O-])=O +6 HMDB0000062 10917 16347 C00318 7.7 168.13257 L-TRYPTOPHANAMIDE Tryptophanamide 5022-65-1 NC(CC1=CNC2=CC=CC=C12)C(N)=O C11H13N3O HMDB0013318 89366 791437 C00977 3.3 204.11314 LACTOSE Lactose 63-42-3 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O C12H22O11 HMDB0000186 84571 36218 C00243 10.3 343.12349 LAUROYLCARNITINE CAR 12:0 25518-54-1 CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C C19H37NO4 HMDB0002250 168381 77086 2.3 344.27954 LEUCINE Leucine 61-90-5 CC(C)C[C@H](N)C(O)=O C6H13NO2 HMDB0000687 6106 15603 C00123 5.5 132.10191 LEUCINE +1 Leucine 61-90-5 CC(C)C[C@H](N)C(O)=O [C13]C5H13NO2 +1 HMDB0000687 6106 15603 C00123 4.4 133.10526 LEUCINE +2 Leucine 61-90-5 CC(C)C[C@H](N)C(O)=O [C13]2C4H13NO2 +2 HMDB0000687 6106 15603 C00123 6 134.10861 LIPOAMIDE Lipoamide 940-69-2 NC(=O)CCCCC1CCSS1 C8H15NOS2 HMDB0000962 863 17460 C00248 2.4 206.06678 LUMICHROME Lumichrome 1086-80-2 CC1=CC2=NC3=C(N=C2C=C1C)C(=O)NC(=O)N3 C12H10N4O2 HMDB0254199 5326566 17781 C01727 2.8 243.08765 LYSINE Lysine 56-87-1 NCCCC[C@H](N)C(O)=O C6H14N2O2 HMDB0000182 5962 18019 C00047 15.5 147.1128 MALEIMIDE Maleimide 541-59-3 OC1=NC(=O)C=C1 C4H3NO2 HMDB0254312 10935 16072 C07272 6.3 98.02365 MELATONIN Melatonin 73-31-4 COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 C13H16N2O2 HMDB0001389 896 16796 C01598 2.1 233.12845 METHIONIN +1 Methionine 63-68-3 CSCC[C@H](N)C(O)=O [C13]C4H11NO2S +1 HMDB0000696 6137 16643 C00073 2.2 151.06168 METHIONIN +3 Methionine 63-68-3 CSCC[C@H](N)C(O)=O [C13]3C2H11NO2S +3 HMDB0000696 6137 16643 C00073 2.2 153.06839 METHIONINE Methionine 63-68-3 CSCC[C@H](N)C(O)=O C5H11NO2S HMDB0000696 6137 16643 C00073 6.3 150.05833 METHIONINE +1 Methionine 63-68-3 CSCC[C@H](N)C(O)=O +1 HMDB0000696 6137 16643 C00073 6.3 151.06168 METHIONINE +2 Methionine 63-68-3 CSCC[C@H](N)C(O)=O +2 HMDB0000696 6137 16643 C00073 6.3 152.06503 METHIONINE +3 Methionine 63-68-3 CSCC[C@H](N)C(O)=O +3 HMDB0000696 6137 16643 C00073 6.3 153.06838 METHIONINE +4 Methionine 63-68-3 CSCC[C@H](N)C(O)=O +4 HMDB0000696 6137 16643 C00073 6.3 154.07173 METHIONINE +5 Methionine 63-68-3 CSCC[C@H](N)C(O)=O +5 HMDB0000696 6137 16643 C00073 6.3 155.07508 METHIONINE SULFOXIMINE Methionine sulfoximine 1982-67-8 CS(=N)(=O)CCC(N)C(O)=O C5H12N2O3S HMDB0029430 16118 47833 C03510 8.9 181.06414 METHYL 4-AMINOBUTYRATE Methyl 4-aminobutanoate 20791 NCCCC(=O)O C5H11NO2 HMDB0000112 119 16865 C00334 6 118.08626 METHYLTHIOADENOSINE Methylthioadenosine 2457-80-9 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N C11H15N5O3S HMDB0001173 439176 17509 C00170 2.9 298.09684 N-ACETYLASPARAGINE N-Acetylasparagine 4033-40-3 CC(=O)N[C@@H](CC(N)=O)C(O)=O C6H10N2O4 HMDB0006028 99715 139582 7.1 175.07133 N-ACETYLGALACTOSAMINE N-Acetylgalactosamine 1811-31-0 CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O C8H15NO6 HMDB0000212 84265 40356 C01074 6.7 222.09721 N-ACETYLGLUCOSAMINE N-Acetylglucosamine 7512-17-6 CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O C8H15NO6 HMDB0000215 439174 506227 C00140 6.7 222.09721 N-ACETYLGLUTAMATE N-Acetylglutamic acid 1188-37-0 CC(=O)N[C@@H](CCC(O)=O)C(O)=O C7H11NO5 HMDB0001138 70914 17533 C00624 9.7 190.071 N-ACETYLMANNOSAMINE N-Acetyl-mannosamine 7772-94-3 CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O C8H15NO6 HMDB0001129 11096158 63154 C00645 6.6 222.09721 N-ACETYLNEURAMINATE N-Acetylneuraminic acid 131-48-6 [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO C11H19NO9 HMDB0000230 445063 45744 C19910 8.8 310.11326 N-ACETYLPHENYLALANINE N-Acetylphenylalanine 2018-61-3 CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O C11H13NO3 HMDB0000512 74839 16259 C03519 2.6 208.09682 N-ACETYLSEROTONIN N-Acetylserotonin 1210-83-9 CC(=O)NCCC1=CNC2=C1C=C(O)C=C2 C12H14N2O2 HMDB0001238 903 17697 C00978 3.4 219.1128 N-ACETYLTRYPTOPHAN N-Acetyl-tryptophan 1218-34-4 CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O C13H14N2O3 HMDB0013713 700653 74640 3.4 247.10772 N-ALPHA-ACETYLLYSINE N(2)-Acetyllysine 1946-82-3 CC(=O)NC(CCCCN)C(=O)O C8H16N2O3 HMDB0000446 192590 35704 C12989 9.3 189.12337 N-METHYLASPARTATE N-Methyl-D-aspartic acid 6384-92-5 CN[C@H](CC(O)=O)C(O)=O C5H9NO4 HMDB0002393 22880 31882 C12269 8.9 148.06043 N-METHYLGLUTAMATE N-Methyl-glutamic acid 6753-62-4 [H][C@@](CCC(O)=O)(NC)C(O)=O C6H11NO4 HMDB0062660 439377 16440 C01046 8.5 162.07608 N-METHYLTRYPTAMINE N-Methyltryptamine 61-49-4 CNCCC1=CNC2=CC=CC=C12 C11H14N2 HMDB0004370 6088 28136 C06213 7 175.12298 N-METYL-ALANINE N-Methylalanine [H][C@@](C)(NC)C(O)=O C4H9NO2 HMDB0094692 5288725 17519 C02721 7.5 104.07061 N,N-DIMETHYLARGININE Dimethylarginine 30315-93-6 N[C@@H](CCCN=C(/N)N(C)C)C(O)=O C8H18N4O2 HMDB0001539 123831 17929 C03626 12 203.15025 N,N,N-TRIMETHYLLYSINE N-6-Trimethyllysine 19253-88-4 C[N+](C)(C)CCCC[C@H](N)C([O-])=O C9H20N2O2 HMDB0001325 440120 17311 C03793 12.8 189.15975 N6-(DELTA2-ISOPENTENYL)-ADENINE N6-Isopentenyladenine 2365-40-4 CC(C)=CCNC1=NC=NC2=C1N=CN2 C10H13N5 HMDB0245646 92180 17660 C04083 2.5 204.12437 NAD NAD NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O C21H27N7O14P2 HMDB0000902 5893 44215 C00003 10.6 664.1164 NADH NADH C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O C21H29N7O14P2 HMDB0001487 439153 16908 C00004 9.9 666.13205 NADP NADP 53-59-8 NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O C21H28N7O17P3 HMDB0000217 5886 44409 C00006 12 744.08273 NADPH NADPH 53-57-6 NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O C21H30N7O17P3 HMDB0000221 5884 16474 C00005 11.4 746.09838 NICOTINAMIDE Niacinamide 98-92-0 NC(=O)C1=CC=CN=C1 C6H6N2O HMDB0001406 936 17154 C00153 3.1 123.05529 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE Nicotinamide purin-6-ol-dinucleotide -17709 C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CNC5=O)O)O)O)O)C(=O)N C21H26N6O15P2 135398705 27416 C04423 10.9 665.10041 NICOTINAMIDE MONONUCLEOTIDE Nicotinamide ribotide 1094-61-7 NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O C11H15N2O8P HMDB0000229 14180 16171 C00455 10.9 335.06388 NICOTINATE Nicotinic acid 59-67-6 OC(=O)C1=CN=CC=C1 C6H5NO2 HMDB0001488 938 15940 C00253 3.9 124.0393 NORLEUCINE Norleucine 327-57-1 CCCC[C@@H](C(=O)O)N C6H13NO2 HMDB0001645 21236 18347 C01933 5.6 132.10191 NORMETANEPHRINE Normetanephrine 97-31-4 COC1=CC(=CC=C1O)C(O)CN C9H13NO3 HMDB0000819 1237 144308 C05589 6.1 184.09682 NORVALINE Norvaline 760-78-1 CCC[C@@H](N)C(O)=O C5H11NO2 HMDB0013716 439575 28804 C01799 6.7 118.08626 O-ACETYLCARNITINE CAR 2:0 3040-38-8 CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C C9H17NO4 HMDB0000201 439756 15960 C02571 5.6 204.12303 O-PHOSPHOETHANOLAMINE Phosphoethanolamine 1071-23-4 NCCOP(O)(O)=O C2H8NO4P HMDB0000224 1015 17553 C00346 11.3 142.02637 O-PHOSPHOSERINE DL-O-Phosphoserine 5838619 N[C@@H](COP(O)(O)=O)C(O)=O C3H8NO6P HMDB0000272 68841 15811 C01005 11.8 186.0162 O-SUCCINYL-HOMOSERINE o-Succinylhomoserine 1492-23-5 N[C@@H](CCOC(=O)CCC(O)=O)C(O)=O C8H13NO6 HMDB0255868 439406 16160 C01118 9.2 220.08156 OPHTHALMATE Ophthalmic acid 495-27-2 CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O C11H19N3O6 HMDB0005765 7018721 84058 C21016 9.2 290.13466 ORNITHINE Ornithine NCCC[C@H](N)C(O)=O C5H12N2O2 HMDB0000214 6262 15729 C00077 14 133.09715 ORNITHINE +1 Ornithine NCCC[C@H](N)C(O)=O [C13]C4H12N2O2 +1 HMDB0000214 6262 15729 C00077 13.7 134.10051 ORNITHINE +2 Ornithine NCCC[C@H](N)C(O)=O [C13]2C3H12N2O2 +2 HMDB0000214 6262 15729 C00077 14 135.10386 ORNITHINE +4 Ornithine NCCC[C@H](N)C(O)=O [C13]4CH12N2O2 +4 HMDB0000214 6262 15729 C00077 13.7 137.11057 ORNITHINE +5 Ornithine NCCC[C@H](N)C(O)=O [C13]5H12N2O2 +5 HMDB0000214 6262 15729 C00077 13.7 138.11393 PALMITOYLCARNITINE CAR 16:0 2364-67-2 CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C C23H45NO4 HMDB0000222 11953816 17490 C02990 2.1 400.34214 PANTOTHENATE Pantothenic acid 79-83-4 CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O C9H17NO5 HMDB0000210 6613 46905 C00864 4.6 220.11795 PARAXANTHINE Paraxanthine 611-59-6 CN1C=NC2=C1C(=O)N(C)C(=O)N2 C7H8N4O2 HMDB0001860 4687 25858 C13747 2.7 181.072 PHENYLALANINE Phenylalanine 63-91-2 N[C@@H](CC1=CC=CC=C1)C(O)=O C9H11NO2 HMDB0000159 6140 17295 C00079 5.1 166.08626 PHOSPHOSERINE Phosphoserine 407-41-0 N[C@@H](COP(O)(O)=O)C(O)=O C3H8NO6P HMDB0000272 68841 15811 C01005 11.8 186.0162 PIPECOLATE Pipecolic acid 3105-95-1 OC(=O)[C@@H]1CCCCN1 C6H11NO2 HMDB0000716 439227 30913 C00408 7 130.08626 PROLINE Proline 147-85-3 OC(=O)[C@@H]1CCCN1 C5H9NO2 HMDB0000162 145742 17203 C00148 7.3 116.07061 PROLINE +1 Proline 147-85-3 OC(=O)[C@@H]1CCCN1 [C13]C4H9NO2 +1 HMDB0000162 145742 17203 C00148 7.3 117.07396 PROLINE +2 Proline 147-85-3 OC(=O)[C@@H]1CCCN1 [C13]2C3H9NO2 +2 HMDB0000162 145742 17203 C00148 7.3 118.07731 PROLINE +3 Proline 147-85-3 OC(=O)[C@@H]1CCCN1 [C13]3C2H9NO2 +3 HMDB0000162 145742 17203 C00148 7.3 119.08067 PROLINE +4 Proline 147-85-3 OC(=O)[C@@H]1CCCN1 [C13]4CH9NO2 +4 HMDB0000162 145742 17203 C00148 7.3 120.08402 PROLINE +5 Proline 147-85-3 OC(=O)[C@@H]1CCCN1 [C13]5H9NO2 +5 HMDB0000162 145742 17203 C00148 7.3 121.08738 PTERIN Pterin 2236-60-4 NC1=NC2=NC=CN=C2C(=O)N1 C6H5N5O HMDB0000802 135398660 18265 C00715 6.1 164.05669 PURINE Purine 120-73-0 N1C=NC2=C1C=NC=N2 C5H4N4 HMDB0001366 1044 17258 C15587 3.7 121.05087 PYRIDOXAL Pyridoxal 65-22-5 CC1=NC=C(CO)C(C=O)=C1O C8H9NO3 HMDB0001545 1050 17310 C00250 3.7 168.06552 PYRIDOXAMINE Pyridoxamine 85-87-0 CC1=C(O)C(CN)=C(CO)C=N1 C8H12N2O2 HMDB0001431 1052 16410 C00534 4.7 169.09715 PYRIDOXINE Pyridoxine 65-23-6 CC1=C(O)C(CO)=C(CO)C=N1 C8H11NO3 HMDB0000239 1054 16709 C00314 3.5 170.08117 RIBOFLAVIN Riboflavin 83-88-5 CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 C17H20N4O6 HMDB0000244 493570 17015 C00255 3.8 377.14556 S-ADENOSYL-L-HOMOCYSTEINE S-Adenosylhomocysteine N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)=O C14H20N6O5S HMDB0000939 439155 16680 C00021 9 385.12886 S-ADENOSYL-L-METHIONINE S-Adenosylmethionine C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N C15H22N6O5S HMDB0001185 34756 15414 C00019 10.2 399.14451 S-ADENOSYLHOMOCYSTEINE S-Adenosylhomocysteine 979-92-0 N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)=O C14H20N6O5S HMDB0000939 439155 16680 C00021 8.4 385.12886 S-ADENOSYLMETHIONINE S-Adenosylmethionine 485-80-3 C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N C15H22N6O5S HMDB0001185 34755 15414 C00019 10.3 399.14451 SALSOLINOL Salsolinol 59709-57-8 C[C@@H]1NCCC2=CC(O)=C(O)C=C12 C10H13NO2 HMDB0042012 91588 113 C09642 8.9 180.10191 SARCOSINE Sarcosine 107-97-1 CNCC(O)=O C3H7NO2 HMDB0000271 1088 15611 C00213 8.5 90.05496 SERINE Serine 56-45-1 N[C@@H](CO)C(O)=O C3H7NO3 HMDB0000187 5951 17115 C00065 10 106.04987 SERINE +1 Serine 56-45-1 N[C@@H](CO)C(O)=O [C13]C2H7NO3 +1 HMDB0000187 5951 17115 C00065 10 107.05322 SERINE +2 Serine 56-45-1 N[C@@H](CO)C(O)=O [C13]2CH7NO3 +2 HMDB0000187 5951 17115 C00065 10 108.05658 SERINE +3 Serine 56-45-1 N[C@@H](CO)C(O)=O [C13]3H7NO3 +3 HMDB0000187 5951 17115 C00065 10 109.05993 SEROTONIN Serotonin 153-98-0 NCCC1=CNC2=C1C=C(O)C=C2 C10H12N2O HMDB0000259 5202 28790 C00780 10.6 177.10224 TAURINE Taurine 107-35-7 NCCS(O)(=O)=O C2H7NO3S HMDB0000251 1123 15891 C00245 9.4 126.02194 TAURINE +1 Taurine 107-35-7 NCCS(O)(=O)=O +1 HMDB0000251 1123 15891 C00245 9.4 127.02529 TAURINE +2 Taurine 107-35-7 NCCS(O)(=O)=O +2 HMDB0000251 1123 15891 C00245 9.4 128.02864 THEOBROMINE Theobromine 83-67-0 CN1C=NC2=C1C(O)=NC(=O)N2C C7H8N4O2 HMDB0002825 5429 28946 C07480 2.8 181.072 THEOPHYLLINE Theophylline 58-55-9 CN1C2=C(NC=N2)C(=O)N(C)C1=O C7H8N4O2 HMDB0001889 2153 28177 C07130 2.7 181.072 THIAMINE MONOPHOSPHATE Thiamine monophosphate 495-23-8 CC1=C(CCOP(O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N C12H17N4O4PS HMDB0002666 1131 9533 C01081 9.7 345.07809 THIAMINE PYROPHOSPHATE Thiamine diphosphate 154-87-0 CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N C12H18N4O7P2S HMDB0001372 1132 9532 C00068 10.8 425.04442 THIOPURINE S-METHYLETHER 6-Methylthiopurine 50-66-8 CSC1=NC=NC2=C1N=CN2 C6H6N4S HMDB0060412 5778 28279 C16614 2.9 167.03859 THIOUREA Thiourea 62-56-6 NC(N)=S CH4N2S HMDB0034155 2723790 36946 C14415 5.2 77.0168 THREONINE Threonine 72-19-5 C[C@@H](O)[C@H](N)C(O)=O C4H9NO3 HMDB0000167 6288 16857 C00188 8.8 120.06552 THYMINE Thymine 65-71-4 CC1=CNC(=O)NC1=O C5H6N2O2 HMDB0000262 1135 17821 C00178 3.3 127.0502 THYROTROPIN RELEASING HORMONE Thyrotropin releasing hormone [H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O C16H22N6O4 HMDB0060080 638678 35940 C03958 4 363.17753 TRANS-CINNAMALDEHYDE Cinnamaldehyde 4555222 O=CC=CC1=CC=CC=C1 C9H8O HMDB0003441 637511 16731 C00903 2 133.06479 TRIGONELLINE Trigonelline 535-83-1 C[N+]1=CC=CC(=C1)C([O-])=O C7H7NO2 HMDB0000875 5570 18123 C01004 6.3 138.05496 TRYPTAMINE Tryptamine 61-54-1 NCCC1=CNC2=C1C=CC=C2 C10H12N2 HMDB0000303 1150 16765 C00398 7.8 161.10732 TRYPTOPHAN Tryptophan 153-94-6 N[C@H](CC1=CNC2=C1C=CC=C2)C(O)=O C11H12N2O2 HMDB0013609 9060 16296 C00525 6.5 205.09715 TRYPTOPHAN +2 Tryptophan 153-94-6 N[C@H](CC1=CNC2=C1C=CC=C2)C(O)=O [C13]2C9H12N2O2 +2 HMDB0013609 9060 16296 C00525 7 207.10386 TRYPTOPHAN +3 Tryptophan 153-94-6 N[C@H](CC1=CNC2=C1C=CC=C2)C(O)=O [C13]3C8H12N2O2 +3 HMDB0013609 9060 16296 C00525 5.3 208.10722 TRYPTOPHAN +8 Tryptophan 153-94-6 N[C@H](CC1=CNC2=C1C=CC=C2)C(O)=O [C13]8C3H12N2O2 +8 HMDB0013609 9060 16296 C00525 5.3 213.12399 TYROSINE Tyrosine 60-18-4 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O C9H11NO3 HMDB0000158 6057 17895 C00082 7.8 182.08117 TYROSINE +1 Tyrosine 60-18-4 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O [C13]C8H11NO3 +1 HMDB0000158 6057 17895 C00082 7.8 183.08452 TYROSINE +3 Tyrosine 60-18-4 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O [C13]3C6H11NO3 +3 HMDB0000158 6057 17895 C00082 6 185.09123 TYROSINE +8 Tyrosine 60-18-4 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O [C13]8CH11NO3 +8 HMDB0000158 6057 17895 C00082 6 190.10801 UREIDOPROPIONATE Ureidopropionic acid 462-88-4 NC(=O)NCCC(O)=O C4H8N2O3 HMDB0000026 111 18261 C02642 7.8 133.06077 UROCANATE Urocanic acid 104-98-3 OC(=O)C=CC1=CNC=N1 C6H6N2O2 HMDB0000301 736715 30817 C00785 7 139.0502 VALINE Valine 72-18-4 CC(C)[C@H](N)C(O)=O C5H11NO2 HMDB0000883 6287 16414 C00183 7 118.08626 VALINE +1 Valine 72-18-4 CC(C)[C@H](N)C(O)=O [C13]C4H11NO2 +1 HMDB0000883 6287 16414 C00183 7 119.08961 VALINE +2 Valine 72-18-4 CC(C)[C@H](N)C(O)=O [C13]2C3H11NO2 +2 HMDB0000883 6287 16414 C00183 7 120.09296 XANTHOSINE Xanthosine 146-80-5 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(O)N=C2O C10H12N4O6 HMDB0000299 64959 18107 C01762 8.1 285.08296 METABOLITES_END #END