#METABOLOMICS WORKBENCH kurtafungo_20251125_171540 DATATRACK_ID:6766 STUDY_ID:ST004410 ANALYSIS_ID:AN007375 PROJECT_ID:PR002787 VERSION 1 CREATED_ON December 1, 2025, 2:48 pm #PROJECT PR:PROJECT_TITLE Uncoupling de novo pyrimidine biosynthesis from mitochondrial electron transport PR:PROJECT_TITLE by ectopic expression of cytosolic DHODH PR:PROJECT_TYPE Synthetic biology PR:PROJECT_SUMMARY Dihydroorotate dehydrogenase (DHODH) is an enzyme involved in the biosynthesis PR:PROJECT_SUMMARY of pyrimidine nucleotides. In most eukaryotes, this enzyme is bound to the inner PR:PROJECT_SUMMARY mitochondrial membrane, where it couples the synthesis of orotate with the PR:PROJECT_SUMMARY reduction of ubiquinone. As ubiquinone must be regenerated by respiratory PR:PROJECT_SUMMARY complex III, pyrimidine biosynthesis and cellular respiration are tightly PR:PROJECT_SUMMARY coupled. Consequently, inhibition of respiration leads to cessation of DNA PR:PROJECT_SUMMARY synthesis and impairs cell proliferation. We show that expression of PR:PROJECT_SUMMARY Saccharomyces cerevisiae URA1 gene (ScURA) in mammalian cells uncouples PR:PROJECT_SUMMARY biosynthesis of pyrimidines from mitochondrial electron transport. ScURA forms a PR:PROJECT_SUMMARY homodimer in the cytosol that uses fumarate instead of ubiquinone as the PR:PROJECT_SUMMARY electron acceptor, enabling oxygen-independent pyrimidine biosynthesis. Cells PR:PROJECT_SUMMARY expressing ScURA are resistant to drugs that inhibit complex III and the PR:PROJECT_SUMMARY mitochondrial ribosome. ScURA enables the growth of mtDNA-lacking ρ0 cells in PR:PROJECT_SUMMARY uridine-deficient medium and ameliorates the phenotype of cellular models of PR:PROJECT_SUMMARY mitochondrial diseases. This genetic tool uncovers the contribution of PR:PROJECT_SUMMARY pyrimidine biosynthesis to the phenotypes arising from electron transport chain PR:PROJECT_SUMMARY defects. PR:INSTITUTE Centro Nacional de Investigaciones Cardiovasculares Carlos III PR:LABORATORY Genoxphos PR:LAST_NAME Curtabbi PR:FIRST_NAME Andrea PR:ADDRESS C. de Melchor Fernández Almagro, 3, Fuencarral-El Pardo, 28029 Madrid, Spain PR:EMAIL andrea.curtabbi@gmail.com PR:PHONE +34 914 53 12 00 #STUDY ST:STUDY_TITLE Uncoupling de novo pyrimidine biosynthesis from mitochondrial electron transport ST:STUDY_TITLE by ectopic expression of cytosolic DHODH ST:STUDY_TYPE Semi-targeted metabolomics ST:STUDY_SUMMARY For metabolomics experiments we used 143B cells, expressing ScURA, treated with ST:STUDY_SUMMARY either DHODH or complex III inhibitors for 24 hours; or 143B rho-0 cells ST:STUDY_SUMMARY expressing ScURA grown without uridine for 24 hours. All conditions had 3 ST:STUDY_SUMMARY independent biological replicates. ST:INSTITUTE Centro Nacional de Investigaciones Cardiovasculares Carlos III ST:LAST_NAME Curtabbi ST:FIRST_NAME Andrea ST:ADDRESS C. de Melchor Fernández Almagro, 3, Fuencarral-El Pardo, 28029 Madrid, Spain ST:EMAIL andrea.curtabbi@gmail.com ST:PHONE +34 914 53 12 00 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female #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 - ACu01_001 Sample Group:143B_wt_control_1 | Treatment:EtOH | Genotype:WT | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_001.mzML; Species=Human; Biological Replicate=1 SUBJECT_SAMPLE_FACTORS - ACu01_002 Sample Group:143B_wt_control_2 | Treatment:EtOH | Genotype:WT | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_002.mzML; Species=Human; Biological Replicate=2 SUBJECT_SAMPLE_FACTORS - ACu01_003 Sample Group:143B_wt_control_3 | Treatment:EtOH | Genotype:WT | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_003.mzML; Species=Human; Biological Replicate=3 SUBJECT_SAMPLE_FACTORS - ACu01_004 Sample Group:143B_ScURA_control_1 | Treatment:EtOH | Genotype:WT_ScURA | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_004.mzML; Species=Human; Biological Replicate=1 SUBJECT_SAMPLE_FACTORS - ACu01_005 Sample Group:143B_ScURA_control_2 | Treatment:EtOH | Genotype:WT_ScURA | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_005.mzML; Species=Human; Biological Replicate=2 SUBJECT_SAMPLE_FACTORS - ACu01_006 Sample Group:143B_ScURA_control_3 | Treatment:EtOH | Genotype:WT_ScURA | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_006.mzML; Species=Human; Biological Replicate=3 SUBJECT_SAMPLE_FACTORS - ACu01_007 Sample Group:143B_wt_antimycin_1 | Treatment:Antimycin_myxothiazol | Genotype:WT | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_007.mzML; Species=Human; Biological Replicate=1 SUBJECT_SAMPLE_FACTORS - ACu01_008 Sample Group:143B_wt_antimycin_2 | Treatment:Antimycin_myxothiazol | Genotype:WT | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_008.mzML; Species=Human; Biological Replicate=2 SUBJECT_SAMPLE_FACTORS - ACu01_009 Sample Group:143B_wt_antimycin_3 | Treatment:Antimycin_myxothiazol | Genotype:WT | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_009.mzML; Species=Human; Biological Replicate=3 SUBJECT_SAMPLE_FACTORS - ACu01_010 Sample Group:143B_ScURA_antimycin_1 | Treatment:Antimycin_myxothiazol | Genotype:WT_ScURA | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_010.mzML; Species=Human; Biological Replicate=1 SUBJECT_SAMPLE_FACTORS - ACu01_011 Sample Group:143B_ScURA_antimycin_2 | Treatment:Antimycin_myxothiazol | Genotype:WT_ScURA | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_011.mzML; Species=Human; Biological Replicate=2 SUBJECT_SAMPLE_FACTORS - ACu01_012 Sample Group:143B_ScURA_antimycin_3 | Treatment:Antimycin_myxothiazol | Genotype:WT_ScURA | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_012.mzML; Species=Human; Biological Replicate=3 SUBJECT_SAMPLE_FACTORS - ACu01_013 Sample Group:143B_RhoZero_1 | Treatment:None | Genotype:p0 | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_013.mzML; Species=Human; Biological Replicate=1 SUBJECT_SAMPLE_FACTORS - ACu01_014 Sample Group:143B_RhoZero_2 | Treatment:None | Genotype:p0 | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_014.mzML; Species=Human; Biological Replicate=2 SUBJECT_SAMPLE_FACTORS - ACu01_015 Sample Group:143B_RhoZero_3 | Treatment:None | Genotype:p0 | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_015.mzML; Species=Human; Biological Replicate=3 SUBJECT_SAMPLE_FACTORS - ACu01_019 Sample Group:143B_RhoZero_Scura_1 | Treatment:None | Genotype:p0_ScURA | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_019.mzML; Species=Human; Biological Replicate=1 SUBJECT_SAMPLE_FACTORS - ACu01_020 Sample Group:143B_RhoZero_Scura_2 | Treatment:None | Genotype:p0_ScURA | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_020.mzML; Species=Human; Biological Replicate=2 SUBJECT_SAMPLE_FACTORS - ACu01_021 Sample Group:143B_RhoZero_Scura_3 | Treatment:None | Genotype:p0_ScURA | Sample source:143B_cultured_cells RAW_FILE_NAME(Raw_data)=ACu01_021.mzML; Species=Human; Biological Replicate=3 #COLLECTION CO:COLLECTION_SUMMARY Samples obtained directly from cell culture. Cells were grown in complete DMEM CO:COLLECTION_SUMMARY medium (D5796, containing 4500 mg/L glucose, 2 mM l-glutamine) supplemented with CO:COLLECTION_SUMMARY dialyzed 10 % fetal bovine serum (FBS, Sigma F7524), 1 % penicillin-streptomycin CO:COLLECTION_SUMMARY (PenStrep, Lonza), at 37 °C in an atmosphere of 5 % CO2/95 % air. The day of CO:COLLECTION_SUMMARY the experiment metabolite extraction buffer was added directly to the cells (see CO:COLLECTION_SUMMARY Sampleprep section). CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY Complex III inhibitors (antimycin/myxothiazol 2 uM each) dissolved in EtOh were TR:TREATMENT_SUMMARY added to cell growth medium for 24 hours before metabolite extraction. Control TR:TREATMENT_SUMMARY cells were treated with the same amount of EtOh. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites were extracted in Metabolite Extraction Buffer (MEB, 50% methanol, SP:SAMPLEPREP_SUMMARY 30% acetonitrile, 20% water, all LC-MS grade, valine-d8 5 μM, CK isotopes, SP:SAMPLEPREP_SUMMARY DLM-488). Cells were washed with PBS, 500 μl of cold MEB per million of cells SP:SAMPLEPREP_SUMMARY were added to the wells and the plate was immediately put at -80°C for 20 SP:SAMPLEPREP_SUMMARY minutes. The cell lysate/extraction buffer solution mixture was shake at maximum SP:SAMPLEPREP_SUMMARY speed for 15 minutes at 4°C, centrifuged at 13000g for 30 minutes at 4°C and SP:SAMPLEPREP_SUMMARY the supernatant was collected in a HPLC vial. A pooled sample was prepared by SP:SAMPLEPREP_SUMMARY taking 15 μl from each individual sample. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Metabolites were separated on a Millipore SeQuant ZIC-pHILIC analytical column CH:CHROMATOGRAPHY_SUMMARY (5 µm, 2.1 × 150 mm) coupled to a guard column (2.1 × 20 mm, 5 µm). The CH:CHROMATOGRAPHY_SUMMARY mobile phase consisted of Solvent A (20 mM ammonium carbonate with 2.5 µM CH:CHROMATOGRAPHY_SUMMARY medronic acid, adjusted to pH 9.7 with ammonium hydroxide) and Solvent B CH:CHROMATOGRAPHY_SUMMARY (acetonitrile/water, 95:5, v/v). The column oven was maintained at 40°C, and CH:CHROMATOGRAPHY_SUMMARY the autosampler was kept at 4 °C. Chromatography was performed at a flow rate CH:CHROMATOGRAPHY_SUMMARY of 0.20 mL/min with the following gradient program: 0–2 min, 85% B; 2–14 CH:CHROMATOGRAPHY_SUMMARY min, linear decrease to 30% B; 14–15 min, isocratic at 30% B; 15–17.1 min, CH:CHROMATOGRAPHY_SUMMARY re-equilibration to 85% B; and 17.1–23 min, hold at 85% B. Metabolite CH:CHROMATOGRAPHY_SUMMARY quantification was performed on a Vanquish Horizon UHPLC system coupled to CH:CHROMATOGRAPHY_SUMMARY Orbitrap Exploris 120/240 mass spectrometer (Thermo Fisher Scientific) equipped CH:CHROMATOGRAPHY_SUMMARY with a heated electrospray ionization (HESI) source. Ionization parameters were CH:CHROMATOGRAPHY_SUMMARY set to +3.5 kV for positive mode and −2.8 kV for negative mode, with an RF CH:CHROMATOGRAPHY_SUMMARY lens setting of 70, a heated capillary temperature of 320 C, and an auxiliary CH:CHROMATOGRAPHY_SUMMARY gas heater temperature of 280 C. Sheath gas flow was set to 40, auxiliary gas to CH:CHROMATOGRAPHY_SUMMARY 15, and sweep gas was disabled. For MS1 acquisition, data were collected in full CH:CHROMATOGRAPHY_SUMMARY scan mode over a mass range of m/z 70–900, using a standard automatic gain CH:CHROMATOGRAPHY_SUMMARY control (AGC) target with an automatically determined maximum injection time. CH:CHROMATOGRAPHY_SUMMARY Data were acquired with polarity switching at an Orbitrap resolution of 120,000. CH:CHROMATOGRAPHY_SUMMARY Untargeted metabolite profiling was performed using the AcquireX Deep Scan CH:CHROMATOGRAPHY_SUMMARY workflow with iterative data-dependent acquisition on pooled samples. Full scans CH:CHROMATOGRAPHY_SUMMARY were acquired at a resolution of 60,000, with MS/MS fragmentation at 30,000 CH:CHROMATOGRAPHY_SUMMARY resolution and a minimum intensity threshold of 5.0 × 10³. Dynamic exclusion CH:CHROMATOGRAPHY_SUMMARY was triggered after a single event (10 s, ±5 ppm), and precursors were isolated CH:CHROMATOGRAPHY_SUMMARY with a 1.2 m/z window. Stepped HCD energies of 30, 50, and 150 were applied, CH:CHROMATOGRAPHY_SUMMARY with mild trapping enabled to improve signal quality. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME SeQuant ZIC-HILIC (150 x 2.1mm,5um) CH:SOLVENT_A 20 mM ammonium carbonate with 2.5 µM medronic acid, adjusted to pH 9.7 with CH:SOLVENT_A ammonium hydroxide CH:SOLVENT_B acetonitrile/water, 95:5, v/v CH:FLOW_GRADIENT 0–2 min, 85% B; 2–14 min, linear decrease to 30% B; 14–15 min, isocratic CH:FLOW_GRADIENT at 30% B; 15–17.1 min, re-equilibration to 85% B; and 17.1–23 min, hold at CH:FLOW_GRADIENT 85% B. CH:FLOW_RATE 0.20 mL/min CH:COLUMN_TEMPERATURE 40°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Metabolites were separated on a Millipore SeQuant ZIC-pHILIC analytical column MS:MS_COMMENTS (5 µm, 2.1 × 150 mm) coupled to a guard column (2.1 × 20 mm, 5 µm). The MS:MS_COMMENTS mobile phase consisted of Solvent A (20 mM ammonium carbonate with 2.5 µM MS:MS_COMMENTS medronic acid, adjusted to pH 9.7 with ammonium hydroxide) and Solvent B MS:MS_COMMENTS (acetonitrile/water, 95:5, v/v). The column oven was maintained at 40°C, and MS:MS_COMMENTS the autosampler was kept at 4 °C. Chromatography was performed at a flow rate MS:MS_COMMENTS of 0.20 mL/min with the following gradient program: 0–2 min, 85% B; 2–14 MS:MS_COMMENTS min, linear decrease to 30% B; 14–15 min, isocratic at 30% B; 15–17.1 min, MS:MS_COMMENTS re-equilibration to 85% B; and 17.1–23 min, hold at 85% B. Metabolite MS:MS_COMMENTS quantification was performed on a Vanquish Horizon UHPLC system coupled to MS:MS_COMMENTS Orbitrap Exploris 120/240 mass spectrometer (Thermo Fisher Scientific) equipped MS:MS_COMMENTS with a heated electrospray ionization (HESI) source. Ionization parameters were MS:MS_COMMENTS set to +3.5 kV for positive mode and −2.8 kV for negative mode, with an RF MS:MS_COMMENTS lens setting of 70, a heated capillary temperature of 320 C, and an auxiliary MS:MS_COMMENTS gas heater temperature of 280 C. Sheath gas flow was set to 40, auxiliary gas to MS:MS_COMMENTS 15, and sweep gas was disabled. For MS1 acquisition, data were collected in full MS:MS_COMMENTS scan mode over a mass range of m/z 70–900, using a standard automatic gain MS:MS_COMMENTS control (AGC) target with an automatically determined maximum injection time. MS:MS_COMMENTS Data were acquired with polarity switching at an Orbitrap resolution of 120,000. MS:MS_COMMENTS Untargeted metabolite profiling was performed using the AcquireX Deep Scan MS:MS_COMMENTS workflow with iterative data-dependent acquisition on pooled samples. Full scans MS:MS_COMMENTS were acquired at a resolution of 60,000, with MS/MS fragmentation at 30,000 MS:MS_COMMENTS resolution and a minimum intensity threshold of 5.0 × 10³. Dynamic exclusion MS:MS_COMMENTS was triggered after a single event (10 s, ±5 ppm), and precursors were isolated MS:MS_COMMENTS with a 1.2 m/z window. Stepped HCD energies of 30, 50, and 150 were applied, MS:MS_COMMENTS with mild trapping enabled to improve signal quality. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples ACu01_001 ACu01_002 ACu01_003 ACu01_004 ACu01_005 ACu01_006 ACu01_007 ACu01_008 ACu01_009 ACu01_010 ACu01_011 ACu01_012 ACu01_013 ACu01_014 ACu01_015 ACu01_019 ACu01_020 ACu01_021 Factors Sample Group:143B_wt_control_1 | Treatment:EtOH | Genotype:WT | Sample source:143B_cultured_cells Sample Group:143B_wt_control_2 | Treatment:EtOH | Genotype:WT | Sample source:143B_cultured_cells Sample Group:143B_wt_control_3 | Treatment:EtOH | Genotype:WT | Sample source:143B_cultured_cells Sample Group:143B_ScURA_control_1 | Treatment:EtOH | Genotype:WT_ScURA | Sample source:143B_cultured_cells Sample Group:143B_ScURA_control_2 | Treatment:EtOH | Genotype:WT_ScURA | Sample source:143B_cultured_cells Sample Group:143B_ScURA_control_3 | Treatment:EtOH | Genotype:WT_ScURA | Sample source:143B_cultured_cells Sample Group:143B_wt_antimycin_1 | Treatment:Antimycin_myxothiazol | Genotype:WT | Sample source:143B_cultured_cells Sample Group:143B_wt_antimycin_2 | Treatment:Antimycin_myxothiazol | Genotype:WT | Sample source:143B_cultured_cells Sample Group:143B_wt_antimycin_3 | Treatment:Antimycin_myxothiazol | Genotype:WT | Sample source:143B_cultured_cells Sample Group:143B_ScURA_antimycin_1 | Treatment:Antimycin_myxothiazol | Genotype:WT_ScURA | Sample source:143B_cultured_cells Sample Group:143B_ScURA_antimycin_2 | Treatment:Antimycin_myxothiazol | Genotype:WT_ScURA | Sample source:143B_cultured_cells Sample Group:143B_ScURA_antimycin_3 | Treatment:Antimycin_myxothiazol | Genotype:WT_ScURA | Sample source:143B_cultured_cells Sample Group:143B_RhoZero_1 | Treatment:None | Genotype:p0 | Sample source:143B_cultured_cells Sample Group:143B_RhoZero_2 | Treatment:None | Genotype:p0 | Sample source:143B_cultured_cells Sample Group:143B_RhoZero_3 | Treatment:None | Genotype:p0 | Sample source:143B_cultured_cells Sample Group:143B_RhoZero_Scura_1 | Treatment:None | Genotype:p0_ScURA | Sample source:143B_cultured_cells Sample Group:143B_RhoZero_Scura_2 | Treatment:None | Genotype:p0_ScURA | Sample source:143B_cultured_cells Sample Group:143B_RhoZero_Scura_3 | Treatment:None | Genotype:p0_ScURA | Sample source:143B_cultured_cells 1-Methyl nicotinamide 657667933.2 587927987.4 578591729.2 515191730.2 555225898.5 518966496.1 464430905.6 803374409.1 772582077.5 573612492.2 457431780.3 577090447.5 292712986.8 350129465.5 331831784.2 425381534.6 490875096.7 515529125.8 cyclic CMP 17865067.31 11702092.17 2282623.404 0 0 0 500481.8103 1102233.889 1523694.15 0 0 0 0 10528.1601 0 0 0 0 2-Hydroxyglutaric acid 24579510.29 17313273.52 16285620.27 12939131.65 14019656.2 26015975.28 94527050.06 128056655.6 130173640.7 76350072.57 61947109.55 75370684.73 186679294.2 226541742.7 211812447.3 190553903.6 224190989.7 218427576.7 2-Oxoglutaric acid 20230737.87 8486030.632 6713552.631 55128991.01 45638444.48 48571453.57 18621394.39 24967584.99 26276502.12 51499934.5 42270635.04 50079143.74 95623903.31 99537627.98 97480000.14 192454836.1 194566038.1 222828256.4 2-Phosphoglyceric acid 66336221.48 35325199.99 51265364.51 9004280.472 19627162.65 7629820.401 48525394.57 71155749.81 52655159.04 21513223.11 20179928.59 10733617.9 7889964.035 10335559.54 7678476.837 36127050.88 38863912.9 44433084.23 3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid 22521404.88 19906729.55 21463221.42 11411378.19 13552684.46 13249543.09 21448714.41 28208804.29 27204045.6 19966455.22 16210647.06 18188512.9 11827475.92 11390406.06 11544911.46 30775742.37 36507338.81 34536761.76 cyclic AMP 1320387.59 1258363.317 1258702.176 1475411.306 1352113.906 1412964.746 1161992.51 1331516.212 1367096.656 845186.017 1099332.212 1135952.321 1421991.661 1427353.164 1204872.188 1783338.741 2069170.929 1894879.23 3-Dehydroxycarnitine 4058406.406 3428706.145 3932473.893 3318351.843 3284604.359 3322186.751 4467785.626 6976354.126 6825239.157 3099928.25 2647384.148 3182103.136 2979774.234 3199713.853 3182436.96 4259612.259 4503789.516 4443849.293 4a-Carbinolamine tetrahydrobiopterin 372822.5997 280298.5991 340646.9448 234811.5835 327666.9157 318121.1268 524297.6507 951909.7457 947574.0678 381811.2179 291723.4716 369581.1631 0 0 0 0 0 0 4-Hydroxyphenyllactic acid 22477702.81 19592637.92 20687971.72 11087607.26 13438612.31 12683475.52 21367372.97 28058661.5 26922359.23 19718852.41 15672964.28 17672264.47 11457382.41 10798778.02 10999134.61 29977329.26 35702265.27 34384231.31 5-Amino-levulinic acid**** 435165.7627 223811.602 374947.4969 1372893.708 1488214.819 806261.8283 401855.4873 186648.9538 332026.1973 753041.0083 703978.7247 1043334.905 2886893.579 2110722.65 1282773.913 3507108.123 4613322.558 5554361.383 5-Hydroxyindoleacetic acid* 4555616.865 4473620.261 3848490.464 4390518.864 4501376.279 4405817.163 4169969.248 6573873.575 6211707.716 6550447.387 4563032.118 4533522.852 7329086.567 6732164.142 6521719.406 1653352.196 1882201.897 1799191.045 7-Methylguanine** 17203134.78 12907986.88 13839928.92 1714564.467 2219192.345 6087563.851 12835389.86 17065516.2 20909517.81 5456251.565 4698370.65 3842541.462 1191044.991 2636794.625 4969828.127 977964.6293 1429646.108 1467642.977 Acetyl-CoA 1803999.295 2039106.872 1648501.306 5579281.201 5636621.751 5028029.937 1259317.52 2011331.201 1920151.356 4402464.182 4222425.531 4685378.424 3926782.624 4271328.89 3793701.517 5319378.242 5737552.039 6008555.849 Adenosine 405592101.8 246557310.5 97674282.13 5903205.354 6073093.999 8633807.987 38041516.3 61424111.26 63134752 7086598.723 5052349.31 7887838.945 5127410.246 5519389.427 6244690.534 7260148.079 8050303.122 7292740.819 Adenylsuccinic acid 0 0 0 81860.35246 4628.298998 195245.598 0 0 0 96914.57559 63454.19612 266682.2164 788846.5247 653356.1882 1062512.433 81025.11238 72520.40204 114692.3235 ADP 43837048.43 45329774.17 46168463.2 61920115.02 48132396.96 72834233.32 38424274.17 44468985.57 45297804.7 56370084.81 54352653.87 82377178.61 99595861.64 100996544.1 108798931.7 53401244.9 60140939.18 64289014.3 ADP-glucose 1228050.871 1724099.849 1480962.481 1167181.881 1205411.947 1192206.844 1658738.803 1775341.399 1776572.607 1274611.776 1458353.621 1233337.027 1769638.39 1868065.378 1647854.468 2199634.216 2313050.866 2212345.471 ADP-ribose 502491.1033 342805.1876 215514.2143 142713.8471 170554.8764 92712.665 378314.7762 214750.4256 550640.8828 191588.2879 236084.6237 239192.7224 338835.1575 352276.579 324310.0642 328474.1312 398720.5034 469123.1855 Alanine 236890283 305318584.5 279697170.4 250472209.8 251056949.8 248249088 280432337.6 317547253.6 293521626.9 271578873.5 246061012.5 284575987.1 206903030.9 199256558.3 204211706.6 266559785.8 288663501.2 315980059.7 AMP 8341622.068 5614011.566 7628455.947 16287254.07 9442386.178 26708369.49 4101555.304 4392981.741 5087115.894 19303055.78 15265029.28 39844549.51 48959688.89 44605875.58 59514791.64 16279820.67 19556964.75 24928035.15 Arginine 71411.11021 2091472.53 1644637.829 311465120.5 279027001.2 389222726.1 2097868.487 2799223.025 4863748.84 659467296 360388908.5 339160694.6 167172466 155164006.6 153462218.8 242185732.1 245904742.3 281814545.5 Argininosuccinic acid 3067830.503 3637173.013 3315440.721 2748604.668 3094304.933 3153589.686 1792526.564 2139134.985 2142024.012 2203490.716 2152139.36 2185039.58 8153384.245 7182184.139 7155929.36 7359497.289 8180576.669 8547999.551 Asparagine 25934986.6 52356870.74 42838384.53 3145322.692 2403864.344 3158207.646 34714898.27 38524007.03 33560153.07 1704153.119 2367416.375 2434019.383 13626822.58 12945269.54 11387404.55 2440460.934 1959670.436 2587226.981 Aspartic acid 67866586.02 87253022.25 80064286.03 126106681.5 106816728.9 119851620 24313502.89 30536670.52 27439828.83 22718475.36 25731681.51 28853500.18 16560936.16 17100239.21 14357811.7 10650544.17 9744815.622 13669012.04 ATP 327252042.4 400798961.1 374109256.6 304476377.4 305866929.7 309253004.3 302011403.3 402281345 370841978.5 267816913.8 300332093.8 281912085.8 168623632.8 228376901.5 212361591.2 272519508 302693158.5 305101964.4 beta-Alanine 23671445.27 28229656.47 24577909.55 17494475.01 18794265.25 18781090.9 28964901.7 31645212.86 30152341.98 19631172.85 19802061.69 21945915.9 46717977.93 45299994.06 45039989.35 48973507.01 57171413.11 65108462.1 Betaine 40328519.65 29217656.16 29944258.63 33641398.54 34151050.86 35613673.28 11192758.44 49145043.56 16926366.83 11954409.89 10156123.92 11574509.15 10078308.25 11774999.04 11456077.03 20789703.8 24120679.58 15337448.11 CAR 2:0 8077493.602 2859465.362 2661844.827 13578198.6 11728314.79 12327936.06 22288600.62 32009515.91 32369573.41 19516902.11 16623036.58 21602756.03 21683681.32 22945347 22076941.3 33947335.26 32796486.02 37192526.63 CAR 3:0 10692980.98 13068735.77 8763050.397 4900048.285 5920141.678 5668176.507 4757605.137 4048282.807 3586676.948 3588495.254 3176014.486 3967325.347 4951485.606 4518134.917 4267382.142 5659042.175 5441984.535 3835664.675 CAR 3:0;2Me 4178780.134 3800235.285 3047663.425 4049583.158 3916508.983 3891013.477 5592565.292 7380482.788 7978365.807 7960801.056 6322476.563 7236216.065 13912200.08 14382001.06 13077537.12 29561570.77 31391326.19 30810431.33 CAR 4:0;3Me 5102686.122 4347775.785 4758133.787 4761375.949 3939175.678 5129233.789 2886624.873 2830453.028 3258292.446 2132430.171 3124297.382 3807922.408 2403752.224 2672637.093 2495831.193 5265552.803 4333338.803 3656351.293 CAR 4:0;3OH 15519.60061 18467.4242 11306.94913 21634.66389 16230.20819 14253.58242 179380.6575 209814.9472 129389.1381 777023.7218 197222.8341 559189.8407 407139.817 419570.7859 491187.5296 1670076.305 1686904.271 1590427.364 CAR 5:0 1187948.81 747720.0884 765266.5312 944828.0658 1019732.797 1060737.141 330106.5298 634372.9462 712808.6062 358777.9718 320417.9122 573057.8296 362826.4592 344008.354 346316.2837 632981.8756 468011.7728 693561.6987 Carbamoylaspartate 494325.5299 204405.3003 115536.3001 27012.60927 11052.57223 13105.4471 270473691.7 375028391.4 303997059.9 203973.3945 160869.5953 214300.6971 177773363.6 148171254.6 157837331.9 3089311.685 3755539.995 5324045.951 Carnitine 13990880.28 10421837.01 11015026.47 11256534.85 10960358.09 10934879.88 8426967.488 14014740.64 13983434.2 9821110.489 8307213.369 10478375.08 13228270.71 14808229.13 13804039.46 33570916.83 33894363.6 33958581.07 CDP 6464764.781 5605988.792 5710719.773 5507020.274 3960438.043 7227475.025 462094.8775 471628.3633 603164.8769 5330291.645 5103857.151 8290382.784 398829.2686 371698.0296 397220.2942 1718444.938 1672554.802 1775600.571 CDP-choline 1278533.499 859901.2302 1122669.484 2311868.9 1594923.446 2730743.668 938898.3137 1545954.055 1229278.162 2380114.274 2419583.909 3442184.735 1768582.713 1847503.402 1724236.752 765253.3426 655912.8949 857978.8195 CDP-Ethanolamine 417138.5255 402512.8635 366460.0525 413481.5869 449274.9198 475368.8802 497921.722 635000.3372 629283.2394 655234.5702 741174.8102 702933.3899 419542.5409 398865.699 329544.2126 326313.6117 313342.5095 293706.6954 Choline* 12460885.47 0 0 101487262.6 85737614.68 120131613.1 0 13075465.55 14672294.55 169966373.4 103917271.5 102218137.8 73509415.91 86885793.57 89280143.25 91123322.15 99075156.05 124438909.9 Choline phosphate 20806940633 20060105577 19319732778 17307127723 17781740619 17646920770 13600873399 20976607738 19207770280 14560961610 12614972727 15874931549 11952719128 12634637716 12383941046 13816097576 14959007416 16004532770 Citric acid 1675183437 1082867276 981840600.6 1251849657 1275954372 1172973848 474654321.9 676169498.2 833069201.6 698306017.5 429223613.6 497936019.8 361639654 434960481.3 436432115.4 230030007.9 211723764.8 280806719.1 Citrulline 625836757.1 460736652.2 387920462.3 1048122.847 1922202.077 1553122.515 450800051.1 506001674.1 530250055.6 834135.6692 1073525.099 2015851.584 3913594.508 2336015.763 1870110.707 14385157.23 4868445.959 5694323.924 CMP 4416945.289 4267932.286 3851177.974 3220578.844 3132548.779 3340806.74 2606967.894 4221306.459 4067498.771 3215726.787 3106003.069 4034012.253 1926261.052 1828807.94 1645406.096 2621249.529 2494892.861 2824412.867 CMP-N-acetylneuraminic acid 5401397.281 6703239.254 5877997.845 5283554.082 5388744.465 5281783.318 6522331.891 7489295.525 6788394.32 5204349.455 5313489.284 5359235.435 3155512.873 3251596.652 2837437.834 4191020.286 4112895.487 4419300.819 Coenzyme A 412962.8192 707770.4711 376420.3888 292217.0442 500463.2679 459400.5508 258727.192 735246.4898 701385.6203 375656.431 167803.9956 297114.9938 705711.0832 690769.9747 755527.3785 802435.5794 836509.2314 798589.9653 Creatine 303683248.1 264989422.7 295456621.8 500081308 478527322.1 522658042.2 346861798.3 515259516.6 476885841.9 420689441.9 358978830.9 480044375.1 206237768.3 227906446.1 243814391.9 450710332.6 503226545.1 642591247.2 Creatinine* 2867100.468 1710993.123 1685690.454 1747008.555 1619517.748 2314436.523 2387028.4 2585139.595 2818409.961 1916473.689 1449821.612 1481234.33 1407062.415 1100121.478 1246905.827 6848424.851 3032655.814 5943430.938 CTP 40238348.14 42958905.56 40228191.91 33423478.59 33588228.74 35913721.46 3428257.861 4548772.352 4120830.635 29535324.2 34309537.21 31275446.74 773401.3956 968996.9772 870789.172 8543031.12 8611384.584 9015303.758 Cystathionine 34583852.69 30085459.13 27043825.89 47523002.26 53353927.86 49929527.65 19422210.29 25749689.58 26784252.33 40771285.27 37270175.78 41284057.78 29419971.12 25989761.54 26958777.8 41974891.17 45459360.06 48297646.77 Cysteine-S-sulfate 2923841.258 976677.5895 335145.3557 1587582.226 950351.8146 2711614.474 2128051.221 2091545.409 5134515.468 5020082.143 2631382.005 435126.9111 290735.1425 202059.9152 0 0 0 0 Cytidine 3407983.759 1820607.752 1208876.777 393694.8892 485430.6871 554280.4575 2041400.664 2546422.887 2485427.466 642515.4109 475326.7447 574902.4522 1244170.674 1268729.601 1307929.802 1339352.6 1472503.496 1538723.578 dAMP 27218.35153 0 0 246576.1728 171542.2575 171978.8208 31699.72771 50453.35246 81064.93826 382108.4222 265621.2467 420295.3425 383921.2099 492439.9844 774598.6649 631786.6335 741998.5611 960684.1069 Deoxycytidine 2313181.13 2762157.102 2902850.414 2449503.773 2418340.926 2695261.202 4582687.102 6413835.976 5918605.265 4169794.792 3854432.227 4665189.746 13077857.03 12711433.46 11868592.11 23773572.08 27376587.33 27100899.22 Deoxyguanosine 405592101.8 246556949.9 97500084.56 5903205.354 6077350.486 8650858.023 38010621.72 61429574.01 63130906.87 7077283.276 5052349.31 7894847.959 5125535.485 5522568.943 6289637.438 7260148.079 8050303.122 7292740.819 Dihydroxyacetone phosphate/Glyceraldehyde phosphate 7957225.43 10159252.34 8069593.973 5143282.812 5760553.942 3819874.941 24251509.93 45009093.16 31802352.26 8409495.435 7595487.545 7406027.583 3344322.491 3011505.068 3642264.691 34809769.42 34754337.8 44761895.03 dTTP* 509641.797 509305.416 403205.556 585171.9419 565950.5078 537037.9864 35476.31612 74372.82659 78925.51657 367536.6403 483486.3832 437944.4592 5553.350379 43394.82581 0 354847.7738 305665.5574 265538.7051 Ergothioneine 9159678.502 8846363.112 8708277.941 7854309.926 6943669.476 7820325.034 6764063.954 9834381.892 10228509.94 7379377.297 6899186.034 8204149.912 2522713.381 2917276.922 2589475.131 3000969.682 2942126.764 2790636.903 Erythronic acid*** 26185408.82 26091161.6 24652682.24 29529649.2 31412833.6 28990837.08 16752750.22 25220488.66 24354951.22 18976481.62 18279275.33 21260297.44 39139501.57 38728244.24 31134006.64 38839474.99 45578793.87 43951395.99 FAD 297364.9689 498925.4265 232370.7398 1198553.314 1219909.408 1205057.071 275373.8086 603804.8237 244391.9805 892858.0119 1022089.398 954215.8226 1067889.922 1071276.895 800713.057 1112567.52 1150394.472 1017767.636 FGAR* 533299.9768 21437.82125 16606.32837 1411010.817 1525579.465 1302250.856 0 0 0 1179719.499 1111498.502 1115215.321 99213.87316 38244.34847 54889.96421 1114573.016 1226318.518 1603477.627 FMN 126140.2152 54559.4539 99062.34301 4992730.847 4285993.52 4386457.777 30604.15009 50107.42551 82047.44382 2964319.276 3981812.261 3986750.102 128137.5898 24172.2999 27875.00037 751229.6993 892591.4709 852484.1949 Folic acid 5183911.585 2381015.784 1242258.362 1767213.601 1364064.812 2200939.056 2654856.958 2984621.476 4272800.387 3617577.371 1950859.059 1242616.573 274203.2292 182214.979 174262.2718 89182.20636 41088.94934 231004.2125 gamma-Glutamylcysteine 563484.1331 320413.3187 273916.338 85237.61039 323894.2466 171623.2582 127233.563 192848.0689 74189.7221 200878.5625 262714.7428 152754.503 1148949.205 908761.2117 1113132.605 1437805.058 826864.411 1036139.199 gamma-Glutamylglutamic acid 23577533.69 17467454.51 13488905.98 20291018.88 20108331.5 22096745.55 16562087.65 23806251.36 24615049.71 22571185.82 19555644.33 26832401.07 13682680.28 10663750.57 10858226.34 15122801.96 17710321.08 24605836.2 gamma-Glutamylglutamine 11326899.63 12490357.35 10088316.27 17729480.79 13884027.09 17096486.25 11425840.28 13303909.78 13444256.73 23196169.83 18141777.66 19510769.25 6265717.576 5699894.147 6013763.755 9924018.832 10818248.95 13212342.46 GDP 13094704.28 14646820.68 15063127.19 14829583.76 12112006.96 17420987.9 12995923.34 15054247.67 15186889.18 15382016.64 15197041.04 20221790.58 17206748.92 21101018.28 22607394.06 11849488.75 13549408.94 13964039.42 GDP-L-fucose 1228050.871 1724099.849 1480962.481 1167181.881 1205411.947 1192206.844 1658738.803 1775341.399 1776572.607 1274611.776 1458353.621 1233337.027 1769638.39 1868065.378 1647854.468 2199634.216 2313050.866 2212345.471 Glutamic acid 1733350949 1532869263 1466472952 1651288284 1709930792 1626999682 1330093731 1603634392 1595310675 1470569146 1329757371 1469743316 888931717.6 882588832.4 884659419 1119926187 1146737736 1224927239 Glutamine 10060541899 9974978154 9936364292 9022875403 9460172087 9571092210 8315794515 10625410551 10459585845 10260881837 9082822759 9908381500 4944698904 4909316219 4977286390 5519884163 6289957821 7368571444 N-Acetyl-L-glutamic acid 27633720.35 13178512.35 13356737.48 61323728.07 65508049.84 58414497.95 17029158.91 19911552.32 22012180.9 77651415.91 70288350.9 81020457.18 37426594.01 39174181.16 35563474.72 40758444.24 48907500.07 55921189.92 Glutathione 1788935970 1225761142 1183410833 1836437837 1942977856 1893050889 1298971401 1613774626 1743255140 1467561737 1445421770 1549626415 1736730003 1703643607 1661008752 1580583721 1659172674 1754315008 Glutathione oxidized 27001187.7 11407994.67 9902028.123 6210975.206 7080420.793 8042943.339 14032337.47 17949142.45 24561203.09 12654024.97 6696392.619 5265426.443 2079070.698 2292202.071 2792630.296 2401446.444 2160320.107 2529858.067 Glycine 17753762.13 21797791.28 19464655.45 15492316.25 13215943.25 15133113.39 19445926.24 22714381.64 22566495.14 16087915.65 16576549.64 16341143.19 13892886.1 15513068.12 13555176.32 39779688.69 28977885.89 22562125.18 GMP 882094.4053 843869.7042 760927.9255 1163294.057 807391.0038 1665816.354 743606.1146 554355.0129 535583.2844 1803953.814 1702277.3 3089023.068 6414106.896 5843530.632 6053705.575 3119756.512 3169810.175 3471564.558 GTP 65446854.24 75590190.73 72406395.08 47217803.26 46069963.54 55721117.43 61315220.1 77426356.69 74498488.45 52691581.87 62334552.67 55340885.21 15031938.53 30590968.76 32117241.83 30299196.36 38556042.89 42087765.49 Guanidoacetic acid 0 0 9641.561221 1362276.124 1127650.128 1619891.9 0 6223.37241 0 2025532.51 1528931.547 2043727.638 467168.4057 416514.7122 341217.1031 1020788.962 573750.5874 606650.9936 Guanosine 3456779.428 1224539.813 1057055.714 531691.9315 608196.0745 470939.2836 1094079.48 1412256.803 1450149.225 203637.1175 443413.0506 674359.7235 1586441.808 1617797.978 1649810.353 2022349.99 1846207.012 1747261.817 Hexose 6-phosphate 74098525.62 94412640.72 90759521.03 82185389 112628832 102996009.7 36810821.91 53294603.74 48432794.6 90164766.09 81188669.99 92739101.62 26493552.43 28135860.09 27558782.51 8057126.951 7862054.75 7248849.825 Histidine 551514152.5 340420246.6 335173917.8 219388740.3 376572850.7 321487553.9 396678225.6 617535852.7 676144414.6 601329251.1 253315868.5 311752858.6 167750494.2 143393203.1 203441792.1 213183320.7 268713672.4 293239607.4 Hypotaurine 258428.0852 554979.9128 353730.9337 718659.0547 188336.1216 500019.2454 718284.5628 550174.1873 882716.7619 204800.6904 352941.7212 330900.8187 143522.4453 134904.3928 31709.96093 6177003.552 7134283.079 7413311.478 Imidazoleacetic acid* 127880.5646 361946.8115 72272.17578 994368.039 1088136.701 872728.7753 624745.7618 65634.62868 115503.2891 946327.0376 930065.3131 934439.3911 6362797.207 6355239.692 6458053.27 6897692.131 7663711.469 8005219.052 IMP 225381.4545 121052.0077 46911.80263 720060.1128 598283.2831 417035.5421 116119.4266 184200.9444 362062.5987 1242988.988 1208253.013 1358951.272 541494.6892 472741.8791 450770.5655 1930934.216 2042995.379 2232807.018 Inosine 879513.4059 229777.7036 384729.6066 63908.75595 406208.4751 54228.87499 573371.1196 919297.4374 898721.2446 89532.52815 91824.67328 141922.8297 937539.8333 882282.9253 994162.1806 919381.3669 1141593.235 729651.8947 Inositol 5942287.722 8044150.411 7026927.09 16433391.34 12961163.61 15018647.44 9811918.462 12715443.23 11545776.94 12430813.85 12784220.52 13659023.12 11625456.61 11329654.34 9489764.632 9888613.25 10490370.61 11402674.85 Isoleucine/Leucine 5574881551 4902555864 4393127209 3518981814 3443698956 3771515370 4787443184 6193752747 6773259277 5486069253 4000515505 4258643040 2039440634 1960142522 1847760057 3019407384 3361940464 3539356103 Itaconic acid 3345402.93 3716276.384 3741787.223 3033209.821 1358425.415 2430913.71 9948915.072 13073245.7 13996006.74 6249874.119 6656920.283 7103936.054 15731546.53 17980420.89 17296506.37 16156452.8 17147227.59 16211918.18 Ketoleucine 92968537.95 59826163.42 33555141.55 28888357.59 21139472.25 35462879.61 70302518.12 76641096.04 103276089 56478733.35 39224118.16 22711844.28 29577884.07 28158269.18 27868012.55 51217758.67 51529733.32 61984949.6 Kynurenine 15326948.71 14647044.02 13419025.31 15787054.87 15235450.47 15831480.73 16538123.65 22147769.19 22046540.59 22004868.46 17690665.66 17139349.33 26799164.98 24177761.86 22509575.78 5998083.91 6652479.588 6404931.609 Lactic acid 1418839646 912321588.5 551987964.8 684344227.1 545246553.9 947138948.8 2355505115 2489449480 3286910582 2407217715 1609539664 1075119108 2231339183 1996611175 1935643876 4039686267 4574340307 4953824522 Lysine 195183175.8 160296505.6 108719857.2 72088626.28 55739556.47 87000296.68 141752734.9 186643688.9 238048843.6 146623305.1 85122687.04 72400740.95 32989651.5 30598504.83 27476526.86 47610829.42 48304777.02 54767718.09 Malic acid 176270009.6 120222457.5 126500499.4 345328621.8 404783848.9 323450079.3 109757784.8 163827713.5 151893772.5 156790576.2 140600998.2 150896455.5 549681664.9 582076228.4 512355584.9 664554525.2 789640520.9 761275631.4 Methionine 1003244199 919577167.9 856398621.5 780830965.6 795087373.1 776314626.7 858755728.7 1151341287 1208526019 1018098611 710026378.7 822359313.7 355009710 337354215.2 315117232.7 508019381.2 577844623.1 583149726.2 Methionine sulfoxide 37299969.56 29322016.96 25810272.45 23313511.31 27336675.61 29596603.92 27453354.94 35860688.43 39605639.86 36210446.2 28708690.33 34669672.25 17945308.28 13550736.69 12188855.54 22153041.29 24334837.15 28575615.39 Succinate 17641538.04 17538974.84 17740863.34 16458705.47 16123906.31 26188537.68 279267363.7 365182757.4 373191495.3 418424921.6 384339643.6 425036099.4 238351155.8 266639603.4 236862308.2 383226631.3 412889102.7 426877888.2 Methylthioadenosine 151311969.4 97821996.51 81924169.45 92613008.25 111555065.1 93451107.38 87800391.03 115507862.4 120038496.1 130265876.9 81477597.7 66897553.42 41409635.87 38567756.45 36533994.3 54955085.91 69341827.81 73735414.25 N(2)-Acetyllysine 106507.1503 73412.98926 57316.9852 347956.6668 149121.1486 172666.6211 127479.6726 97593.05964 150311.6152 340088.4903 235560.2796 362963.9311 2028137.895 3200112.751 668102.4032 107558168 58922196.73 20287824.81 N6-Acetyllysine 5483567.662 5405024.628 5299554.262 7813349.768 6883289.251 6496115.535 4940811.858 6284714.619 6464759.423 7010908.218 5822860.134 6882903.554 4147674.602 3101965.411 3705970.336 6802153.86 7824809.036 8277281.49 N-6-Trimethyllysine 8198012.463 6806953.035 6415821.006 6227792.003 6694773.85 6213851.331 7660696.586 12176488.62 11521006.64 8295580.452 6326047.707 9049246.132 8293581.952 8233916.598 8458173.172 7534790.399 8755167.442 9281910.85 N-Acetylaspartic acid 863416797.3 818151964.4 817407081.3 999371123.7 905374952.6 945431782.6 186350587.9 266807769.6 266948323.1 522917607.7 457880813.8 561608808.9 273476977.4 318871506.5 286960280.6 469220605.4 452397942.6 447544254.5 N-Acetyl-Asp-Glu 12914709.98 13490711.7 12832375.32 10710843.65 11381290.65 11755708.93 2544216.096 3544341.443 3485326.676 29625401.65 25963709.32 30251199.12 4339085.752 4582890.002 3972401.957 15930550.43 17633747.31 17920455.39 N-Acetylglutamic acid 27644030.93 13178512.35 13356737.48 61187418.75 65508049.84 58313730.68 17029158.91 19911552.32 22012180.9 77299090.38 70008833.52 81143423.2 37426594.01 39174181.16 35563474.72 40758444.24 48907500.07 55921189.92 N-Acetylglutamine 33517457.55 24560617.54 25190676.36 42277999.86 40763439.04 41508571.18 23852107.5 30411282.61 32569525.9 46262559.81 39671662.34 44995105.64 16181330.26 17556890.41 15931480.38 24052290.46 24588936.57 24666460.3 N-Acetylhistidine*** 437493.5063 52583.6752 167443.6132 531035.6888 897259.4363 760796.9306 265879.5092 217610.6407 437212.954 593443.473 584050.8486 476839.3834 636623.8649 700003.4495 871859.2658 975915.9754 978432.0938 1050843.858 N-Acetylneuraminic acid 17267963.82 14053930.61 12296940.1 22886756.55 21463092.07 24216455.59 96877753.36 130292394.5 138159664.9 18368567.55 19063997.36 20869588.13 80501720.07 78151550.07 84298781.51 22124583.49 26040941.73 24965469.23 N-Acetylserotonin 5091504.716 3035667.741 1221235.555 4772797.115 5701979.829 4043560.7 745563.447 1136738.974 987850.9268 3570930.697 2786650.61 3767866.725 2308645.887 1815494.907 1064969.264 1530258.986 2072655.043 1995456.81 NAD 178719787.1 222061137.9 207500036.7 223798351.7 227425393.3 224482720.2 181614712.3 235047250.8 226764956.8 212828838.5 209379856.9 214764074.1 162207007.9 161917325.8 156239262.2 167125266.3 172767563.7 180784499.5 NADH 39544584.54 17931449.02 9261726.999 0 30411.26312 0 28240993.22 40485107.98 21090230.62 3788403.726 3328888.298 11955452.91 9802174.931 7956580.548 4889623.766 26523342.41 32715921.22 25175322.74 NADP 4166937.428 4889936.321 4880782.213 3578630.539 3581998.868 3029762.496 3297123.505 4411156.212 4145487.179 3217080.151 3044817.29 3163824.211 2469228.006 2489237.95 2327443.925 2309774.819 2422796.529 2511945.03 NADPH 0 37877.36436 13658.03373 2166589.76 2218357.285 2675636.628 6010.930144 0 14025.60927 1750334.281 2181256.629 1835323.377 1375607.799 1681986.597 1456176.118 2064453.805 2153655.545 2006995.811 Niacinamide 126396476.8 56139144.4 37076400.48 67855107.24 52433541.53 89236660.19 74386551.48 76767764.9 84772428.9 168876905.9 78178912.52 38092885.17 22123655.36 20956782.77 18576036.83 12299964.8 11828459.86 20657982.93 Nicotinic acid 96275727.6 58995259.62 49486682.89 0 0 493042.7361 67497363.46 116221263.7 150546733.9 0 0 0 167281.9703 0 0 0 0 0 Ornithine 77505692.39 57544815.99 43270550.03 9367090.526 8924349.353 11226298.87 77173543.6 92610359.53 106685742.3 15006144.03 9174202.834 10133566.18 6189909.092 5493020.101 4981116.607 4985253.022 5111519.964 16969000.07 Orotic acid 1184598.483 266174.8955 370722.6503 12811869.48 10931407.03 5673506.365 1303797.783 2652297.351 2548224.495 13689503.94 10701572.91 10018796.67 1262687.933 1226447.038 1585475.714 3811746.605 2951563.563 3609330.27 Orotidine 139321.6198 107754.4471 190279.6506 1763704.901 1388654.117 770908.4048 0 0 59603.48294 518466.1053 367299.7611 709360.0509 0 0 0 1122982.466 1237461.834 1075952.053 Pantothenic acid 1923533734 1570540497 1511238364 1672242193 1749918514 1616221874 2775639753 4129346325 3786440001 2940868274 2418034209 2530291305 1213351288 1239613942 1101651797 2045582753 2400461237 2371553580 Phenylalanine 2904157527 2663383417 2365474463 1862080495 1801810577 1958696971 2608061621 3267682414 3507128247 2813600766 2123514011 2237669849 1046411403 971444901.9 866975764 1635810664 1816417500 1865675494 Phosphocreatine 2561383.735 5651433.964 4650561.102 586759.2738 2233393.664 216840.9273 3430665.311 4629374.65 3283891.024 702322.0793 1124326.264 248603.1438 418391.7629 483078.8537 169645.7304 29165276.08 34461879.18 30460693.84 Phosphoenolpyruvic acid 12691866.73 4230541.169 5278433.743 0 1614956.38 0 9085911 12803493.7 7613444.652 1730135.595 439064.373 164096.2612 120934.0437 106883.0739 89755.93314 2569830.376 4213377.766 4222292.642 Phosphoserine 4039456.501 5070104.551 3672928.96 11336079.4 11993620.86 7443253.762 2222324.984 2074060.046 1743708.254 5761737.654 5728373.94 4903888.098 12518.11811 0 0 333288.2101 320308.6431 365500.4803 Proline 3579905467 4689477289 4652081525 2230925081 2306721477 2284498083 3381865335 5071608829 4714983386 932318917.6 782461645.4 907426918 2924095297 3182790592 3080087402 1628300401 1897413462 1923274511 Pyridoxal 71919899.61 44501873.54 36241357.17 29403329.22 26862008.16 31199652.78 46082478.22 61640520.82 82014406.69 47120821.52 29391275.25 19990759.68 7683093.252 9049606.19 8298960.033 13648506.73 15958268.32 20856073.58 Pyruvic acid 56785407.51 28326415.58 21500968.39 28925000.59 21124906.63 34488106.61 48475943.22 49900228.92 78632164.69 84254828.72 49775048.22 29882696.06 13091479.24 13020942.12 12900592.88 20105331.04 20695919.59 33003902.18 Riboflavin 4694081.356 3549427.376 2556934.793 2056609.051 1417315.113 2475693.058 4069500.12 4383502.854 5287074.75 2643029.317 2285420.014 1477455.08 349195.3088 438649.9291 446248.9912 765641.8594 806978.8541 818158.7995 Ribose 5-phosphate* 4232612.338 4458031.353 3030255.228 2798542.426 6329271.766 371088.8772 3517151.53 6501949.105 6683949.463 6035970.218 5383966.396 2386606.998 2121830.15 2531586.72 1722688.505 20364161.83 22215140.64 21427904.34 Methyl-uridine* 1252092.898 1076767.089 680200.4671 879388.5449 658345.1946 824207.8682 604517.246 1043642.928 967846.2272 1008635.355 759080.8399 957609.0224 337920.0003 244381.8091 244919.1574 442269.8257 649948.5995 615589.1332 Saccharopine 887268.7014 1282690.185 1377694.757 3561520.719 2791686.342 3331665.891 34344602.88 40431288.44 42095627.81 68180748.4 64536469.82 75683062.7 21974726.82 18897970.21 19020639.98 53845508.84 55836452.19 62400520.51 S-Adenosylhomocysteine 4390480.901 931905.063 874388.3373 2166385.156 1705872.092 1089561.922 1064220.176 1314835.503 2793907.117 743895.88 798467.8327 1215159.545 2808953.964 1759652.058 745162.7225 3869129.781 4743928.314 5638499.827 S-Adenosylmethionine 55059138.45 54328646.91 55586940.63 136625509.7 220401400.6 159675996.4 145936225.9 174565425.8 172397561.9 194049901.7 126729067.7 142736372.6 268097951 281602493.4 291822092.4 204448147.3 250865200.8 267274459.3 Sarcosine 255199469.6 328271290.1 274620071 264188573.5 264147153.8 263458734.4 304921807.2 345557946.5 319871541.1 284931057.8 261348654.9 301950574.4 247312678.1 238822477.1 243219807.1 304802478.7 337163072.5 371404290.4 Sedoheptulose 7-phosphate 7605570.417 8432914.606 7513842.364 8502496.561 6240977.39 13803757.88 5874407.776 8106582.752 8438262.42 8853182.887 8963012.709 11142254.77 7410121.382 6469101.437 6735321.982 6769535.122 7346579.322 6929349.693 Serine 104099246.7 124109880.3 115302085.2 85003897.78 67997012.38 76681948.1 111296267.2 135385836.7 134831474.5 98327071.61 99742945.86 102833977.9 49847516.56 46431376.12 42887845.04 61738753.75 60702185.16 67617010.98 S-(2-Succinyl)glutathione 1449400.133 1780596.796 1719249.366 1773288.626 1801884.84 1865378.956 1095889.115 1513710.186 1239723.455 1078081.767 1104443.528 1138919.983 3476211.569 3721402.456 3541689.429 3099959.169 3255848.794 3380534.808 Targinine 202557.009 202557.009 202557.009 142199.0367 196867.2664 175554.7157 254875.0903 289429.9085 446851.0239 211561.4432 138113.6043 161183.9411 190613.2816 180026.8427 151986.6833 283588.9029 394514.7021 532386.1951 Taurine 4934184.759 4628604.879 3938084.244 3488563.295 4736150.295 4821710.628 6780535.166 7095721.777 7326706.515 4292093.681 3407289.442 3995022.077 725797.8855 638740.6593 391140.4177 27483133.93 30790886.23 31069488.83 Thiamine* 32600316.82 24615273.27 15410999.79 128253412.3 124921122.4 152008799.3 25409955.58 35712453.73 32960876.85 172402251.2 105250447.8 118385569.6 56292313.5 50118478.79 50388899.69 62810545.18 73156864.72 86362535.78 Threonine 1115672467 1034292014 950671315.8 1413053574 1439025556 1406811453 863641856.6 1139559862 1187100050 1563044197 1257708306 1377482748 642064476.7 556318463.3 549404985.1 783041584.2 944916970 973485043.4 trans-Aconitic acid* 67600143.77 48840797.98 40874250.51 59335351.06 54351483.74 48914778.26 11694167.96 16044578.58 22767141.57 19337834.29 10376260.68 14958977 15599701.63 16172612.4 16658387.85 3753956.603 3206895.696 4683011.718 Trigonelline 411351402.4 441162784.1 426830335.2 167160869.8 203026312.7 184750061.2 90021581.91 156518968.8 137243614.2 96883421.65 91690273.81 100404124.9 4421440.826 4228236.892 4062414.696 12210144.17 12487178.74 13663609.78 Tryptophan 514862329.2 469923040.8 431283259.4 287166922.8 272960175 299324564.4 576038583.6 702992360.6 742324145.2 471708886.9 370664439.9 369948783.9 194987249 178297908.2 172123057.5 267471857.1 302838915.9 300888323.8 Tyrosine 1631938281 1530573047 1301173960 1096846612 1181305981 1187123726 1425730729 1784458358 1910557331 1775453431 1404558481 1413718693 726792826.3 627683039.5 618801548.1 672980646.4 894877032.2 1175962240 UDP-glucose 2082051.564 2258836.324 2074073.644 1747273.67 1873866.222 1679295.9 154276.7144 173488.388 110869.1056 1333479.516 1354354.839 1384946.297 59433.22882 39878.41716 29935.38835 339595.4568 332749.5298 311847.6952 UDP-glucuronic acid 5994513.885 6361304.995 5877812.107 3834240.63 3934282.84 3867955.389 1533139.152 1985004.639 1867170.321 2407625.529 2705379.938 2592389.94 534536.8812 730378.6634 679223.3156 1232624.348 1144404.09 1202228.002 UDP-N-acetylglucosamine 678492324.5 800145992.1 726375124.8 395600139.9 440796348.5 411216963.8 214305615.6 251266615.6 221809829.8 266862912.4 276731438.9 273199673 19739647.23 18223453.06 17449820.05 63685153.74 64375830.7 66918202.81 UMP 315983.003 105720.1322 71764.14123 262577.1221 122435.5319 564769.7484 8648.186331 6626.427905 14643.20208 931287.0498 705233.0116 1573588.045 229020.5868 275736.4871 387619.4127 881380.1547 960258.1508 1125656.405 Uracil 389310.6085 112950.101 109548.3474 0 86410.31269 83583.00088 423128.8747 539149.6951 319393.551 88428.53031 104821.9734 110868.106 0 86247.05243 67993.94745 99042.57728 91636.97487 93748.0696 Uridine 204940.9477 0 0 0 152219.9162 14661698.14 95205.34063 0 87459.91621 0 0 0 0 0 0 0 0 0 UTP 48616252.76 45739608.51 42484007.53 41344374.65 41705144.12 41249967.88 4506001.763 7388499.026 7253959.897 36518093.84 40198454.79 37919202.48 1051973.629 1378812.163 1161259.887 14628226.46 14608783.46 15344551.16 Valine 1582532832 1357145310 1244845905 1008863554 984495697.3 1085915341 1384880218 1784770857 1892971263 1689061682 1143890427 1307048234 629646094.2 588109454.7 560964206.5 918017510.5 1019390901 1116701882 Valine-d8 312284062.8 276302018.9 275184965.6 493730535.4 509295132.9 481296032.3 261774526.1 323916509.5 289725612.8 516740593.2 417992947.9 535423320.4 515679071.9 515850017 486199909 518109774.9 593615385.5 606672246.5 Sphingosine 1972603.308 2552846.382 2445856.627 16886704.21 17443277.35 14171653.55 1966991.661 2280844.828 1440097.679 13331785.74 11343807.7 14283896.42 44531376.13 39363868.09 34663487.08 49695731.3 58413252.05 56796353.72 Dihydroorotate 3470939.734 640032.3634 571036.9299 0 0 0 809479388 1120350561 1108294081 0 0 70432.00963 504849708.8 579528651.5 584136587.4 8861452.54 12097059.3 11830732.8 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Standardized name Formula Exact mass Super class Main class Sub class Pubchem CID CHEBI_ID HMDB_ID LM_ID KEGG_ID INCHI_KEY REFMET_ID 1-Methyl nicotinamide 1-Methyl nicotinamide C7H9N2O 137.0715 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 457 16797 HMDB0000699 C02918 LDHMAVIPBRSVRG-UHFFFAOYSA-O RM0030166 cyclic CMP cyclic CMP C9H12N3O7P 305.0413 Nucleic acids Pyrimidines Pyrimidine rNMP RM0138707 2-Hydroxyglutaric acid 2-Hydroxyglutaric acid C5H8O5 148.0372 Fatty Acyls Fatty acids Dicarboxylic acids 43 17084 HMDB0059655 LMFA01050483 C02630 HWXBTNAVRSUOJR-UHFFFAOYSA-N RM0153554 2-Oxoglutaric acid 2-Oxoglutaric acid C5H6O5 146.0215 Organic acids TCA acids TCA acids 51 30915 HMDB0000208 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N RM0135911 2-Phosphoglyceric acid 2-Phosphoglyceric acid C3H7O7P 185.9929 Organic acids Short-chain acids Short-chain acids 439278 17835 HMDB0003391 C00631 GXIURPTVHJPJLF-UWTATZPHSA-N RM0136217 3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid 3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid C9H10O4 182.0579 Organic acids Phenylpropanoids Cinnamic acids 102959 86369 HMDB0002643 KHTAGVZHYUZYMF-UHFFFAOYSA-N RM0161370 cyclic AMP 3',5' cyclic AMP C10H12N5O6P 329.0525 Nucleic acids Purines Purine rNMP 6076 17489 HMDB0000058 C00575 IVOMOUWHDPKRLL-KQYNXXCUSA-N RM0135874 3-Dehydroxycarnitine 3-Dehydroxycarnitine C7H15NO2 145.1103 Fatty Acyls Fatty esters Acyl carnitines 725 16244 HMDB0001161 C01181 JHPNVNIEXXLNTR-UHFFFAOYSA-N RM0136342 4a-Carbinolamine tetrahydrobiopterin 4a-Carbinolamine tetrahydrobiopterin C9H13N5O3 239.1018 Organoheterocyclic compounds Pterins Biopterins 135398653 43120 HMDB0002215 C00268 ZHQJVZLJDXWFFX-RPDRRWSUSA-N RM0136173 4-Hydroxyphenyllactic acid 4-Hydroxyphenyllactic acid C9H10O4 182.0579 Organic acids Phenylpropanoids Cinnamic acids 9378 17385 HMDB0000755 C03672 JVGVDSSUAVXRDY-UHFFFAOYSA-N RM0044554 5-Amino-levulinic acid**** 5-Amino-levulinic acid C5H9NO3 131.0582 Fatty Acyls Fatty acids Amino FA 137 17549 HMDB0001149 LMFA01100055 C00430 ZGXJTSGNIOSYLO-UHFFFAOYSA-N RM0153225 5-Hydroxyindoleacetic acid* 5-Hydroxyindoleacetic acid C10H9NO3 191.0582 Alkaloids Tryptophan alkaloids Indoleacetic acids 1826 27823 HMDB0000763 C05635 DUUGKQCEGZLZNO-UHFFFAOYSA-N RM0135989 7-Methylguanine** 7-Methylguanine C6H7N5O 165.0651 Nucleic acids Purines Hypoxanthines 135398679 28664 HMDB0000897 C02242 FZWGECJQACGGTI-UHFFFAOYSA-N RM0156417 Acetyl-CoA Acetyl-CoA C23H38N7O17P3S 809.1258 Fatty Acyls Fatty esters Acyl CoAs 444493 15351 HMDB0001206 LMFA07050281 C00024 ZSLZBFCDCINBPY-ZSJPKINUSA-N RM0073686 Adenosine Adenosine C10H13N5O4 267.0968 Nucleic acids Purines Purine ribonucleosides 60961 16335 HMDB0000050 C00212 OIRDTQYFTABQOQ-KQYNXXCUSA-N RM0135870 Adenylsuccinic acid Adenylsuccinic acid C14H18N5O11P 463.074 Nucleic acids Purines Purine rNMP 447145 15919 HMDB0000536 C03794 OFBHPPMPBOJXRT-VWJPMABRSA-N RM0137319 ADP ADP C10H15N5O10P2 427.0294 Nucleic acids Purines Purine rNDP 6022 16761 HMDB0001341 C00008 XTWYTFMLZFPYCI-KQYNXXCUSA-N RM0032913 ADP-glucose ADP-glucose C16H25N5O15P2 589.0822 Nucleic acids Purines Purine rNDP 16500 15751 HMDB0006557 C00498 WFPZSXYXPSUOPY-ROYWQJLOSA-N RM0138964 ADP-ribose ADP-ribose C15H23N5O14P2 559.0717 Nucleic acids Purines Purine rNDP 33576 16960 HMDB0001178 C00301 SRNWOUGRCWSEMX-TYASJMOZSA-N RM0156418 Alanine Alanine C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids 5950 16977 HMDB0000161 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N RM0135898 AMP AMP C10H14N5O7P 347.0631 Nucleic acids Purines Purine rNMP 6083 16027 HMDB0000045 C00020 UDMBCSSLTHHNCD-KQYNXXCUSA-N RM0138921 Arginine Arginine C6H14N4O2 174.1117 Organic acids Amino acids and peptides Amino acids 6322 16467 HMDB0000517 C00062 ODKSFYDXXFIFQN-BYPYZUCNSA-N RM0135963 Argininosuccinic acid Argininosuccinic acid C10H18N4O6 290.1226 Organic acids Amino acids and peptides Amino acids 16950 184023 HMDB0000052 C03406 KDZOASGQNOPSCU-WDSKDSINSA-N RM0135871 Asparagine Asparagine C4H8N2O3 132.0535 Organic acids Amino acids and peptides Amino acids 6267 17196 HMDB0000168 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N RM0135724 Aspartic acid Aspartic acid C4H7NO4 133.0375 Organic acids Amino acids and peptides Amino acids 5960 17053 HMDB0000191 C00049 CKLJMWTZIZZHCS-REOHCLBHSA-N RM0135905 ATP ATP C10H16N5O13P3 506.9958 Nucleic acids Purines Purine rNTP 5957 15422 HMDB0000538 C00002 ZKHQWZAMYRWXGA-KQYNXXCUSA-N RM0138930 beta-Alanine beta-Alanine C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids 239 16958 HMDB0000056 C00099 UCMIRNVEIXFBKS-UHFFFAOYSA-N RM0021629 Betaine Betaine C5H11NO2 117.079 Organic acids Amino acids and peptides Amino acids 247 17750 HMDB0000043 KWIUHFFTVRNATP-UHFFFAOYSA-N RM0135869 CAR 2:0 CAR 2:0 C9H17NO4 203.1158 Fatty Acyls Fatty esters Acyl carnitines 18230 86045 HMDB0240771 LMFA07070049 RDHQFKQIGNGIED-QMMMGPOBSA-N RM0154009 CAR 3:0 CAR 3:0 C10H19NO4 217.1314 Fatty Acyls Fatty esters Acyl carnitines 188824 53210 HMDB0062514 LMFA07070005 C03017 UFAHZIUFPNSHSL-MRVPVSSYSA-N RM0154041 CAR 3:0;2Me CAR 3:0;2Me C11H21NO4 231.1471 Fatty Acyls Fatty esters Acyl carnitines 10177002 73017 HMDB0000736 LMFA07070075 LRCNOZRCYBNMEP-UHFFFAOYSA-N RM0153770 CAR 4:0;3Me CAR 4:0;3Me C12H23NO4 245.1627 Fatty Acyls Fatty esters Acyl carnitines 169235 70819 HMDB0000688 LMFA07070077 IGQBPDJNUXPEMT-SNVBAGLBSA-N RM0154016 CAR 4:0;3OH CAR 4:0;3OH C11H21NO5 247.142 Fatty Acyls Fatty esters Acyl carnitines 53481617 72995 HMDB0013127 LMFA07070071 UEFRDQSMQXDWTO-GKAPJAKFSA-N RM0154200 CAR 5:0 CAR 5:0 C12H23NO4 245.1627 Fatty Acyls Fatty esters Acyl carnitines 53481619 165624 HMDB0013128 LMFA07070111 VSNFQQXVMPSASB-JTQLQIEISA-N RM0154185 Carbamoylaspartate Carbamoylaspartate C5H8N2O5 176.0433 Organic acids Amino acids and peptides Amino acids 93072 15859 HMDB0000828 C00438 HLKXYZVTANABHZ-REOHCLBHSA-N RM0037601 Carnitine Carnitine C7H15NO3 161.1052 Organic nitrogen compounds Carnitines Carnitines 10917 16347 HMDB0000062 C00487 PHIQHXFUZVPYII-ZCFIWIBFSA-N RM0008606 CDP CDP C9H15N3O11P2 403.0182 Nucleic acids Pyrimidines Pyrimidine rNDP 6132 17239 HMDB0001546 C00112 ZWIADYZPOWUWEW-XVFCMESISA-N RM0138946 CDP-choline CDP-choline C14H26N4O11P2 488.1073 Nucleic acids Pyrimidines Pyrimidine rNDP 13804 16436 HMDB0001413 C00307 RZZPDXZPRHQOCG-OJAKKHQRSA-N RM0136097 CDP-Ethanolamine CDP-Ethanolamine C11H20N4O11P2 446.0604 Nucleic acids Pyrimidines Pyrimidine rNDP 123727 16732 HMDB0001564 C00570 WVIMUEUQJFPNDK-PEBGCTIMSA-N RM0043519 Choline* Choline C5H14NO 104.1075 Organic nitrogen compounds Cholines Cholines 305 15354 HMDB0000097 C00114 OEYIOHPDSNJKLS-UHFFFAOYSA-N RM0028739 Choline phosphate Choline phosphate C5H14NO4P 183.066 Organic nitrogen compounds Cholines Cholines 135437 18132 HMDB0001565 YHHSONZFOIEMCP-UHFFFAOYSA-N RM0007522 Citric acid Citric acid C6H8O7 192.027 Organic acids TCA acids TCA acids 311 30769 HMDB0000094 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N RM0135884 Citrulline Citrulline C6H13N3O3 175.0957 Organic acids Amino acids and peptides Amino acids 9750 16349 HMDB0000904 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N RM0136022 CMP CMP C9H14N3O8P 323.0519 Nucleic acids Pyrimidines Pyrimidine rNMP 6131 17361 HMDB0000095 C00055 IERHLVCPSMICTF-XVFCMESISA-N RM0138923 CMP-N-acetylneuraminic acid CMP-N-acetylneuraminic acid C20H31N4O16P 614.1473 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 448209 16556 HMDB0001176 C00128 TXCIAUNLDRJGJZ-BILDWYJOSA-N RM0138940 Coenzyme A Coenzyme A C21H36N7O16P3S 767.1152 Nucleic acids Purines Other purines 87642 15346 HMDB0001423 C00010 RGJOEKWQDUBAIZ-IBOSZNHHSA-N RM0157849 Creatine Creatine C4H9N3O2 131.0695 Organic acids Amino acids and peptides Amino acids 586 16919 HMDB0000064 C00300 CVSVTCORWBXHQV-UHFFFAOYSA-N RM0135876 Creatinine* Creatinine C4H7N3O 113.0589 Organoheterocyclic compounds Azoles Imidazolines 137319715 16737 HMDB0000562 C00791 DDRJAANPRJIHGJ-UHFFFAOYSA-N RM0028430 CTP CTP C9H16N3O14P3 482.9845 Nucleic acids Pyrimidines Pyrimidine rNTP 6176 17677 HMDB0000082 C00063 PCDQPRRSZKQHHS-XVFCMESISA-N RM0135881 Cystathionine Cystathionine C7H14N2O4S 222.0674 Organic acids Amino acids and peptides Amino acids 439258 17482 HMDB0000099 C02291 ILRYLPWNYFXEMH-WHFBIAKZSA-N RM0135885 Cysteine-S-sulfate Cysteine-S-sulfate C3H7NO5S2 200.9766 Organic acids Amino acids and peptides Amino acids 115015 27891 HMDB0000731 C05824 NOKPBJYHPHHWAN-REOHCLBHSA-N RM0041317 Cytidine Cytidine C9H13N3O5 243.0855 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 6175 17562 HMDB0000089 C00475 UHDGCWIWMRVCDJ-XVFCMESISA-N RM0138922 dAMP dAMP C10H14N5O6P 331.0682 Nucleic acids Purines Purine dNMP 12599 17713 HMDB0000905 C00360 KHWCHTKSEGGWEX-RRKCRQDMSA-N RM0156433 Deoxycytidine Deoxycytidine C9H13N3O4 227.0906 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides 13711 15698 HMDB0000014 C00881 CKTSBUTUHBMZGZ-SHYZEUOFSA-N RM0040741 Deoxyguanosine Deoxyguanosine C10H13N5O4 267.0968 Nucleic acids Purines Purine deoxyribonucleosides 135398592 17172 HMDB0000085 C00330 YKBGVTZYEHREMT-KVQBGUIXSA-N RM0042978 Dihydroxyacetone phosphate/Glyceraldehyde phosphate - - - - - - - - dTTP* dTTP C10H17N2O14P3 481.9893 Nucleic acids Pyrimidines Pyrimidine dNTP 64968 18077 HMDB0001342 C00459 NHVNXKFIZYSCEB-XLPZGREQSA-N RM0032432 Ergothioneine Ergothioneine C9H15N3O2S 229.0885 Organic acids Amino acids and peptides Amino acids 5351619 4828 HMDB0003045 C05570 SSISHJJTAXXQAX-ZETCQYMHSA-N RM0132145 Erythronic acid*** Erythronic acid C4H8O5 136.0372 Carbohydrates Monosaccharides Sugar acids 2781043 37655 HMDB0000613 JPIJQSOTBSSVTP-PWNYCUMCSA-N RM0041611 FAD FAD C27H33N9O15P2 785.1571 Nucleic acids Flavins Flavin nucleotides 643975 16238 HMDB0001248 C00016 VWWQXMAJTJZDQX-UYBVJOGSSA-N RM0138943 FGAR* FGAR C8H15N2O9P 314.0515 Nucleic acids Glycinamide ribonucleotides Glycinamide ribonucleotides 16048611 18272 HMDB0001308 C04376 VDXLUNDMVKSKHO-ZRTZXPPTSA-N RM0033450 FMN FMN C17H21N4O9P 456.1046 Organoheterocyclic compounds Alloxazines and isoalloxazines Flavins 643976 17621 HMDB0001520 C00061 FVTCRASFADXXNN-SCRDCRAPSA-N RM0136109 Folic acid Folic acid C19H19N7O6 441.1397 Organoheterocyclic compounds Pterins Folic acids 135398658 27470 HMDB0000121 C00504 OVBPIULPVIDEAO-LBPRGKRZSA-N RM0135886 gamma-Glutamylcysteine gamma-Glutamylcysteine C8H14N2O5S 250.0623 Organic acids Amino acids and peptides Dipeptides 123938 17515 HMDB0001049 C00669 RITKHVBHSGLULN-WHFBIAKZSA-N RM0136036 gamma-Glutamylglutamic acid gamma-Glu-Glu C10H16N2O7 276.0958 Organic acids Amino acids and peptides Dipeptides 92865 73705 HMDB0011737 C05282 OWQDWQKWSLFFFR-WDSKDSINSA-N RM0043083 gamma-Glutamylglutamine gamma-Glutamylglutamine C10H17N3O6 275.1117 Organic acids Amino acids and peptides Dipeptides 150914 73707 HMDB0011738 C05283 JBFYFLXEJFQWMU-WDSKDSINSA-N RM0013281 GDP GDP C10H15N5O11P2 443.0243 Nucleic acids Purines Purine rNDP 135398619 17552 HMDB0001201 C00035 QGWNDRXFNXRZMB-UUOKFMHZSA-N RM0033168 GDP-L-fucose GDP-L-fucose C16H25N5O15P2 589.0822 Nucleic acids Purines Purine rNDP 135412609 17009 HMDB0001095 C00325 LQEBEXMHBLQMDB-QIXZNPMTSA-N RM0157860 Glutamic acid Glutamic acid C5H9NO4 147.0532 Organic acids Amino acids and peptides Amino acids 33032 16015 HMDB0000148 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N RM0135893 Glutamine Glutamine C5H10N2O3 146.0691 Organic acids Amino acids and peptides Amino acids 5961 18050 HMDB0000641 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N RM0012560 N-Acetyl-L-glutamic acid N-Acetyl-mannosamine C8H15NO6 221.0899 Carbohydrates Monosaccharides Amino sugars 439281 63153 HMDB0001129 C00645 OVRNDRQMDRJTHS-ZTVVOAFPSA-N RM0137126 Glutathione Glutathione C10H17N3O6S 307.0838 Organic acids Amino acids and peptides Tripeptides 124886 16856 HMDB0000125 C00051 RWSXRVCMGQZWBV-WDSKDSINSA-N RM0135889 Glutathione oxidized Glutathione C10H17N3O6S 307.0838 Organic acids Amino acids and peptides Tripeptides 124886 16856 HMDB0000125 C00051 RWSXRVCMGQZWBV-WDSKDSINSA-N RM0135889 Glycine Glycine C2H5NO2 75.032 Organic acids Amino acids and peptides Amino acids 750 15428 HMDB0000123 C00037 DHMQDGOQFOQNFH-UHFFFAOYSA-N RM0135888 GMP GMP C10H14N5O8P 363.058 Nucleic acids Purines Purine rNMP 135398631 17345 HMDB0001397 C00144 RQFCJASXJCIDSX-UUOKFMHZSA-N RM0033601 GTP GTP C10H16N5O14P3 522.9907 Nucleic acids Purines Purine rNTP 135398633 15996 HMDB0001273 C00044 XKMLYUALXHKNFT-UUOKFMHZSA-N RM0136084 Guanidoacetic acid Guanidoacetic acid C3H7N3O2 117.0538 Organic acids Amino acids and peptides Amino acids 763 16344 HMDB0000128 C00581 BPMFZUMJYQTVII-UHFFFAOYSA-N RM0040234 Guanosine Guanosine C10H13N5O5 283.0917 Nucleic acids Purines Purine ribonucleosides 135398635 16750 HMDB0000133 C00387 NYHBQMYGNKIUIF-UUOKFMHZSA-N RM0156423 Hexose 6-phosphate Hexose 6-phosphate C6H13O9P 260.0297 Carbohydrates Monosaccharides Hexose phosphates 208 182132 HMDB0246205 C02965 NBSCHQHZLSJFNQ-UHFFFAOYSA-N RM0155871 Histidine Histidine C6H9N3O2 155.0695 Organic acids Amino acids and peptides Amino acids 6274 15971 HMDB0000177 C00135 HNDVDQJCIGZPNO-YFKPBYRVSA-N RM0129894 Hypotaurine Hypotaurine C2H7NO2S 109.0198 Organic acids Sulfinic acids Sulfinic acids 107812 16668 HMDB0000965 C00519 VVIUBCNYACGLLV-UHFFFAOYSA-N RM0136027 Imidazoleacetic acid* Imidazoleacetic acid C5H6N2O2 126.0429 Alkaloids Histidine alkaloids Imidazole alkaloids 96215 16974 HMDB0002024 C02835 PRJKNHOMHKJCEJ-UHFFFAOYSA-N RM0009104 IMP IMP C10H13N4O8P 348.0471 Nucleic acids Purines Purine rNMP 135398640 17202 HMDB0000175 C00130 GRSZFWQUAKGDAV-KQYNXXCUSA-N RM0000534 Inosine Inosine C10H12N4O5 268.0808 Nucleic acids Purines Purine ribonucleosides 135398641 17596 HMDB0000195 C00294 UGQMRVRMYYASKQ-KQYNXXCUSA-N RM0135908 Inositol Inositol C6H12O6 180.0634 Organic oxygen compounds Alcohols and polyols Inositols RM0004841 Isoleucine/Leucine Leucine/Isoleucine C6H13NO2 131.0946 Organic acids Amino acids and peptides Amino acids RM0013480 Itaconic acid Itaconic acid C5H6O4 130.0266 Fatty Acyls Fatty acids Dicarboxylic acids 811 30838 HMDB0002092 LMFA01170063 C00490 LVHBHZANLOWSRM-UHFFFAOYSA-N RM0152814 Ketoleucine Ketoleucine C6H10O3 130.063 Organic acids Keto acids Short-chain keto acids 70 48430 HMDB0000695 C00233 BKAJNAXTPSGJCU-UHFFFAOYSA-N RM0135977 Kynurenine Kynurenine C10H12N2O3 208.0848 Organic acids Amino acids and peptides Amino acids 161166 16946 HMDB0000684 C00328 YGPSJZOEDVAXAB-QMMMGPOBSA-N RM0132226 Lactic acid Lactic acid C3H6O3 90.0317 Organic acids Short-chain acids Short-chain acids 107689 422 HMDB0000190 C00186 JVTAAEKCZFNVCJ-REOHCLBHSA-N RM0135904 Lysine Lysine C6H14N2O2 146.1055 Organic acids Amino acids and peptides Amino acids 5962 18019 HMDB0000182 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N RM0135903 Malic acid Malic acid C4H6O5 134.0215 Organic acids TCA acids TCA acids 222656 30797 HMDB0000156 C00149 BJEPYKJPYRNKOW-REOHCLBHSA-N RM0135894 Methionine Methionine C5H11NO2S 149.0511 Organic acids Amino acids and peptides Amino acids 6137 16643 HMDB0000696 C00073 FFEARJCKVFRZRR-BYPYZUCNSA-N RM0161726 Methionine sulfoxide Methionine sulfoxide C5H11NO3S 165.046 Organic acids Amino acids and peptides Amino acids 10062737 49032 HMDB0002005 QEFRNWWLZKMPFJ-ZXPFJRLXSA-N RM0050489 Succinate Succinic acid C4H6O4 118.0266 Organic acids TCA acids TCA acids 1110 15741 HMDB0000254 LMFA01170043 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N RM0134982 Methylthioadenosine Methylthioadenosine C11H15N5O3S 297.0896 Nucleic acids Purines Purine ribonucleosides RM0138708 N(2)-Acetyllysine N(2)-Acetyllysine C8H16N2O3 188.1161 Organic acids Amino acids and peptides Amino acids 92907 35704 HMDB0000446 C12989 VEYYWZRYIYDQJM-ZETCQYMHSA-N RM0132215 N6-Acetyllysine N6-Acetyllysine C8H16N2O3 188.1161 Organic acids Amino acids and peptides Amino acids 92832 17752 HMDB0000206 C02727 DTERQYGMUDWYAZ-ZETCQYMHSA-N RM0135910 N-6-Trimethyllysine N-6-Trimethyllysine C9H20N2O2 188.1525 Organic acids Amino acids and peptides Amino acids 440120 165870 HMDB0001325 C03793 MXNRLFUSFKVQSK-QMMMGPOBSA-N RM0009124 N-Acetylaspartic acid N-Acetylaspartic acid C6H9NO5 175.0481 Organic acids Amino acids and peptides Amino acids 65065 21547 HMDB0000812 C01042 OTCCIMWXFLJLIA-BYPYZUCNSA-N RM0136005 N-Acetyl-Asp-Glu N-Acetyl-Asp-Glu C11H16N2O8 304.0907 Organic acids Amino acids and peptides Dipeptides 71120 191259 HMDB0001067 C12270 OPVPGKGADVGKTG-NKWVEPMBSA-N RM0027165 N-Acetylglutamic acid N-Acetylglutamic acid C7H11NO5 189.0637 Organic acids Amino acids and peptides Amino acids 70914 17533 HMDB0001138 C00624 RFMMMVDNIPUKGG-YFKPBYRVSA-N RM0136738 N-Acetylglutamine N-Acetylglutamine C7H12N2O4 188.0797 Organic acids Amino acids and peptides Amino acids 182230 21553 HMDB0006029 KSMRODHGGIIXDV-YFKPBYRVSA-N RM0138125 N-Acetylhistidine*** N-Acetylhistidine C8H11N3O3 197.08 Organic acids Amino acids and peptides Amino acids 75619 16437 HMDB0032055 C02997 KBOJOGQFRVVWBH-ZETCQYMHSA-N RM0132177 N-Acetylneuraminic acid N-Acetylneuraminic acid C11H19NO9 309.106 Carbohydrates Monosaccharides Sugar acids 445063 45744 HMDB0000230 C19910 SQVRNKJHWKZAKO-PFQGKNLYSA-N RM0135920 N-Acetylserotonin N-Acetylserotonin C12H14N2O2 218.1055 Alkaloids Tryptophan alkaloids Tryptamines 903 17697 HMDB0001238 C00978 MVAWJSIDNICKHF-UHFFFAOYSA-N RM0136079 NAD NAD C21H27N7O14P2 663.1091 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5892 44215 HMDB0000902 C00003 BAWFJGJZGIEFAR-NNYOXOHSSA-N RM0133217 NADH NADH C21H29N7O14P2 665.1248 Nucleic acids Nicotinamides Nicotinamide dinucleotides 439153 16908 HMDB0001487 C00004 BOPGDPNILDQYTO-NNYOXOHSSA-N RM0136399 NADP NADP C21H28N7O17P3 743.0755 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5885 44409 HMDB0304435 C00006 XJLXINKUBYWONI-NNYOXOHSSA-N RM0133216 NADPH NADPH C21H30N7O17P3 745.0911 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5884 16474 HMDB0000221 C00005 ACFIXJIJDZMPPO-NNYOXOHSSA-N RM0157850 Niacinamide Niacinamide C6H6N2O 122.048 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 936 17154 HMDB0001406 C00153 DFPAKSUCGFBDDF-UHFFFAOYSA-N RM0156450 Nicotinic acid Nicotinic acid C6H5NO2 123.032 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 938 15940 HMDB0001488 C00253 PVNIIMVLHYAWGP-UHFFFAOYSA-N RM0156700 Ornithine Ornithine C5H12N2O2 132.0899 Organic acids Amino acids and peptides Amino acids 6262 15729 HMDB0000214 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N RM0135912 Orotic acid Orotic acid C5H4N2O4 156.0171 Nucleic acids Pyrimidines Pyrimidine carboxylic acids 967 16742 HMDB0000226 C00295 PXQPEWDEAKTCGB-UHFFFAOYSA-N RM0033030 Orotidine Orotidine C10H12N2O8 288.0594 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 92751 25722 HMDB0000788 C01103 FKCRAVPPBFWEJD-XVFCMESISA-N RM0136002 Pantothenic acid Pantothenic acid C9H17NO5 219.1107 Organic acids Amino acids and peptides Amino acids 6613 46905 HMDB0000210 LMFA08020419 GHOKWGTUZJEAQD-ZETCQYMHSA-N RM0136730 Phenylalanine Phenylalanine C9H11NO2 165.079 Organic acids Amino acids and peptides Amino acids 6140 17295 HMDB0000159 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N RM0135897 Phosphocreatine Phosphocreatine C4H10N3O5P 211.0358 Organic acids Amino acids and peptides Amino acids 9548602 17287 HMDB0001511 C02305 DRBBFCLWYRJSJZ-UHFFFAOYSA-N RM0009827 Phosphoenolpyruvic acid Phosphoenolpyruvic acid C3H5O6P 167.9824 Organic acids Short-chain acids Short-chain acids 1005 44897 HMDB0000263 C00074 DTBNBXWJWCWCIK-UHFFFAOYSA-N RM0060576 Phosphoserine Phosphoserine C3H8NO6P 185.0089 Organic acids Amino acids and peptides Amino acids 68841 15811 HMDB0000272 C01005 BZQFBWGGLXLEPQ-REOHCLBHSA-N RM0135926 Proline Proline C5H9NO2 115.0633 Organic acids Amino acids and peptides Amino acids 145742 17203 HMDB0000162 C00148 ONIBWKKTOPOVIA-BYPYZUCNSA-N RM0135899 Pyridoxal Pyridoxal C8H9NO3 167.0582 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1050 17310 HMDB0001545 C00250 RADKZDMFGJYCBB-UHFFFAOYSA-N RM0156676 Pyruvic acid Pyruvic acid C3H4O3 88.016 Organic acids Short-chain acids Short-chain acids 1060 32816 HMDB0000243 LMFA01060077 C00022 LCTONWCANYUPML-UHFFFAOYSA-N RM0134967 Riboflavin Riboflavin C17H20N4O6 376.1383 Organoheterocyclic compounds Alloxazines and isoalloxazines Flavins 493570 17015 HMDB0000244 C00255 AUNGANRZJHBGPY-SCRDCRAPSA-N RM0135919 Ribose 5-phosphate* Ribose 5-phosphate C5H11O8P 230.0192 Carbohydrates Monosaccharides Pentose phosphates 439167 52742 HMDB0001548 C00117 KTVPXOYAKDPRHY-SOOFDHNKSA-N RM0158596 Methyl-uridine* Methyluridine C10H14N2O6 258.0852 Nucleic acids Pyrimidines Other pyrimidines RM0005115 Saccharopine Saccharopine C11H20N2O6 276.1321 Organic acids Amino acids and peptides Amino acids 160556 16927 HMDB0000279 C00449 ZDGJAHTZVHVLOT-YUMQZZPRSA-N RM0042980 S-Adenosylhomocysteine S-Adenosylhomocysteine C14H20N6O5S 384.1216 Nucleic acids Purines Other purines 439155 16680 HMDB0000939 C00021 ZJUKTBDSGOFHSH-WFMPWKQPSA-N RM0136025 S-Adenosylmethionine S-Adenosylmethionine C15H23N6O5S 399.1451 Nucleic acids Purines Other purines 34756 15414 HMDB0001185 C00019 MEFKEPWMEQBLKI-AIRLBKTGSA-O RM0138941 Sarcosine Sarcosine C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids 1088 15611 HMDB0000271 C00213 FSYKKLYZXJSNPZ-UHFFFAOYSA-N RM0135925 Sedoheptulose 7-phosphate Sedoheptulose 7-phosphate C7H15O10P 290.0403 Carbohydrates Monosaccharides Monosaccharide phosphates 165007 15721 HMDB0258206 C05382 JDTUMPKOJBQPKX-GBNDHIKLSA-N RM0155901 Serine Serine C3H7NO3 105.0426 Organic acids Amino acids and peptides Amino acids 5951 17115 HMDB0000187 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N RM0032433 S-(2-Succinyl)glutathione S-Succinylglutathione C14H21N3O9S 407.0999 Organic acids Amino acids and peptides Amino acids 439932 15892 CEWPGJBJGGBRQM-YUMQZZPRSA-N RM0132201 Targinine Targinine C7H16N4O2 188.1273 Organic acids Amino acids and peptides Amino acids 132862 28229 HMDB0029416 C03884 NTNWOCRCBQPEKQ-YFKPBYRVSA-N RM0136489 Taurine Taurine C2H7NO3S 125.0147 Organic acids Sulfonic acids Sulfonic acids 1123 15891 HMDB0000251 C00245 XOAAWQZATWQOTB-UHFFFAOYSA-N RM0118223 Thiamine* Thiamine C12H17N4OS 265.1123 Nucleic acids Pyrimidines Thiamines 1130 18385 HMDB0000235 C00378 JZRWCGZRTZMZEH-UHFFFAOYSA-N RM0135917 Threonine Threonine C4H9NO3 119.0582 Organic acids Amino acids and peptides Amino acids 6288 16857 HMDB0000167 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N RM0135900 trans-Aconitic acid* trans-Aconitic acid C6H6O6 174.0164 Organic acids Carboxylic acids Tricarboxylic acids 444212 32806 HMDB0000958 C02341 GTZCVFVGUGFEME-HNQUOIGGSA-N RM0118176 Trigonelline Trigonelline C7H7NO2 137.0477 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 5570 18123 HMDB0000875 C01004 WWNNZCOKKKDOPX-UHFFFAOYSA-N RM0136017 Tryptophan Tryptophan C11H12N2O2 204.0899 Organic acids Amino acids and peptides Amino acids 6305 16828 HMDB0000929 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N RM0136024 Tyrosine Tyrosine C9H11NO3 181.0739 Organic acids Amino acids and peptides Amino acids 6057 17895 HMDB0000158 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N RM0135896 UDP-glucose UDP-glucose C15H24N2O17P2 566.055 Nucleic acids Pyrimidines Pyrimidine rNDP 53477679 167608 HMDB0000286 C00029 HSCJRCZFDFQWRP-LPTOLDDLSA-N RM0135928 UDP-glucuronic acid UDP-glucuronic acid C15H22N2O18P2 580.0343 Nucleic acids Pyrimidines Pyrimidine rNDP 17473 17200 HMDB0000935 C00167 HDYANYHVCAPMJV-LXQIFKJMSA-N RM0157921 UDP-N-acetylglucosamine UDP-N-acetylglucosamine C17H27N3O17P2 607.0816 Nucleic acids Pyrimidines Pyrimidine rNDP 445675 16264 HMDB0000290 LMSL01010002 C00043 LFTYTUAZOPRMMI-CFRASDGPSA-N RM0133219 UMP UMP C9H13N2O9P 324.0359 Nucleic acids Pyrimidines Pyrimidine rNMP 6030 16695 HMDB0000288 C00105 DJJCXFVJDGTHFX-XVFCMESISA-N RM0135929 Uracil Uracil C4H4N2O2 112.0273 Nucleic acids Pyrimidines Other pyrimidines 1174 17568 HMDB0000300 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N RM0135934 Uridine Uridine C9H12N2O6 244.0695 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 6029 16704 HMDB0000296 C00299 DRTQHJPVMGBUCF-XVFCMESISA-N RM0135933 UTP UTP C9H15N2O15P3 483.9685 Nucleic acids Pyrimidines Pyrimidine rNTP 6133 15713 HMDB0000285 C00075 PGAVKCOVUIYSFO-XVFCMESISA-N RM0160877 Valine Valine C5H11NO2 117.079 Organic acids Amino acids and peptides Amino acids 6287 16414 HMDB0000883 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N RM0136018 Valine-d8 Standard - - - - - - - - - - - - Sphingosine Sphingosine C18H37NO2 299.2824 Sphingolipids Sphingoid bases Sphingosines 5280335 16393 HMDB0000252 LMSP01010001 C00319 WWUZIQQURGPMPG-KRWOKUGFSA-N RM0135443 Dihydroorotate 4,5-Dihydroorotic acid C5H6N2O4 158.0328 Organic acids Amino acids and peptides Amino acids 1149667 30866 HMDB0000528 UFIVEPVSAGBUSI-UWTATZPHSA-N RM0132232 METABOLITES_END #END