#METABOLOMICS WORKBENCH milansavani_20220714_092133 DATATRACK_ID:3339 STUDY_ID:ST002231 ANALYSIS_ID:AN003641 PROJECT_ID:PR001421 VERSION 1 CREATED_ON July 15, 2022, 9:41 am #PROJECT PR:PROJECT_TITLE De Novo Pyrimidine Synthesis is a Targetable Vulnerability in IDH Mutant Glioma PR:PROJECT_TYPE LC-MS Quantitative Analysis PR:PROJECT_SUMMARY Mutations affecting isocitrate dehydrogenase (IDH) enzymes are prevalent in PR:PROJECT_SUMMARY glioma, leukemia, and other cancers. Although mutant IDH inhibitors are PR:PROJECT_SUMMARY effective against leukemia, they appear less active in aggressive glioma, PR:PROJECT_SUMMARY underscoring the need for alternative treatment strategies. Through a chemical PR:PROJECT_SUMMARY synthetic lethality screen, we discovered that IDH1 mutant glioma cells are PR:PROJECT_SUMMARY hypersensitive to drugs targeting enzymes in the de novo pyrimidine nucleotide PR:PROJECT_SUMMARY synthesis pathway, including dihydroorotate dehydrogenase (DHODH). We developed PR:PROJECT_SUMMARY a genetically engineered mouse model of mutant IDH1-driven astrocytoma and used PR:PROJECT_SUMMARY it and multiple patient-derived models to show that the brain-penetrant DHODH PR:PROJECT_SUMMARY inhibitor BAY 2402234 displays monotherapy efficacy against IDH mutant gliomas. PR:PROJECT_SUMMARY Mechanistically, this reflects an obligate dependence of glioma cells on the de PR:PROJECT_SUMMARY novo pyrimidine synthesis pathway and mutant IDH’s ability to sensitize to DNA PR:PROJECT_SUMMARY damage upon nucleotide pool imbalance. Our work outlines a tumor-selective, PR:PROJECT_SUMMARY biomarker-guided therapeutic strategy that is poised for clinical translation. PR:INSTITUTE UT Southwestern Medical Center PR:DEPARTMENT Children's Research Institute PR:LABORATORY McBrayer Laboratory PR:LAST_NAME McBrayer PR:FIRST_NAME Samuel PR:ADDRESS 6000 Harry Hines Boulevard, NL11.110K, Dallas, Texas, 75235, USA PR:EMAIL samuel.mcbrayer@utsouthwestern.edu PR:PHONE (214)-648-3730 #STUDY ST:STUDY_TITLE Metabolomics Analysis of HOG-EV and HOG-R132H Cells with and without BAY 2402234 ST:STUDY_TITLE Treatment ST:STUDY_TYPE Metabolomics Analysis ST:STUDY_SUMMARY HOG cells were plated in 6-well plates (0.5 × 10^6 cells per well). 24 hours ST:STUDY_SUMMARY later, HOG-EV or HOG-R132H cells were treated for 24 hours with 10 nM BAY ST:STUDY_SUMMARY 2402234 or DMSO. Cells were then harvested for LC-MS analysis. ST:INSTITUTE UT Southwestern Medical Center ST:DEPARTMENT Children's Research Institute ST:LABORATORY McBrayer Laboratory ST:LAST_NAME McBrayer ST:FIRST_NAME Samuel ST:ADDRESS 6000 Harry Hines Boulevard, NL10.110K, Dallas, TX 75235, USA ST:EMAIL samuel.mcbrayer@utsouthwestern.edu ST:PHONE (214)-648-3730 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 1 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENOTYPE_STRAIN HOG SU:GENDER Male SU:CELL_STRAIN_DETAILS Human oligodendroglioma cell line SU:CELL_COUNTS 500,000 #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 N/A Blank Genotype:N/A | Treatment:N/A Replicate=N/A; Polarity=Positive; RAW_FILE_NAME=Blank01.raw SUBJECT_SAMPLE_FACTORS HOG ML-01_Negative Genotype:HOG EV | Treatment:DMSO Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_01_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-01_Positive Genotype:HOG EV | Treatment:DMSO Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_01_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-02_Negative Genotype:HOG EV | Treatment:DMSO Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_02_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-02_Positive Genotype:HOG EV | Treatment:DMSO Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_02_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-03_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_03_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-03_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_03_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-04_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_04_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-04_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_04_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-05_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_05_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-05_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_05_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-06_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_06_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-06_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_06_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-07_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_07_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-07_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_07_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-08_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_08_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-08_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_08_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-09_Negative Genotype:HOG EV | Treatment:DMSO Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_09_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-09_Positive Genotype:HOG EV | Treatment:DMSO Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_09_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-10_Negative Genotype:HOG EV | Treatment:DMSO Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_10_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-10_Positive Genotype:HOG EV | Treatment:DMSO Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_10_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-11_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_11_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-11_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_11_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-12_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_12_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-12_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_12_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-13_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_13_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-13_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_13_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-14_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_14_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-14_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_14_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-15_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_15_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-15_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_15_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-16_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_16_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-16_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_16_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-17_Negative Genotype:HOG EV | Treatment:DMSO Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_17_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-17_Positive Genotype:HOG EV | Treatment:DMSO Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_17_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-18_Negative Genotype:HOG EV | Treatment:DMSO Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_18_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-18_Positive Genotype:HOG EV | Treatment:DMSO Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_18_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-19_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_19_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-19_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_19_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-20_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_20_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-20_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_20_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-21_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_21_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-21_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_21_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-22_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_22_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-22_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_22_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-23_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_23_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-23_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_23_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-24_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_24_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-24_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_24_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-25_Negative Genotype:HOG EV | Treatment:DMSO Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_25_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-25_Positive Genotype:HOG EV | Treatment:DMSO Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_25_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-26_Negative Genotype:HOG EV | Treatment:DMSO Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_26_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-26_Positive Genotype:HOG EV | Treatment:DMSO Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_26_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-27_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_27_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-27_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_27_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-28_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_28_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-28_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_28_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-29_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_29_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-29_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_29_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-30_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_30_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-30_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_30_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-31_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_31_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-31_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_31_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-32_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_32_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-32_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_32_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-33_Negative Genotype:Pooled Sample | Treatment:N/A Replicate=N/A; Polarity=Negative; RAW_FILE_NAME=ML_33_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-33_Positive Genotype:Pooled Sample | Treatment:N/A Replicate=N/A; Polarity=Positive; RAW_FILE_NAME=ML_33_pos.raw #COLLECTION CO:COLLECTION_SUMMARY Cells were washed with ice-cold saline and snap frozen in liquid nitrogen. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY 24 hours after plating, HOG-EV or HOG-R132H cells were treated for 24 hours with TR:TREATMENT_SUMMARY 10 nM BAY 2402234 or DMSO. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites were extracted in 80% methanol, vortexed for 20 min at 4°C, and SP:SAMPLEPREP_SUMMARY centrifuged (21,100 × g for 10 min at 4°C). Metabolite samples were dried SP:SAMPLEPREP_SUMMARY using a CentriVap (Labconco) or SpeedVac (Thermo Fisher) concentrator. Dried SP:SAMPLEPREP_SUMMARY metabolites were resuspended in 40-50 µL 80% acetonitrile, vortexed for 20 min SP:SAMPLEPREP_SUMMARY at 4°C, and centrifuged (21,100 × g for 10 min at 4°C). 10 µL was injected SP:SAMPLEPREP_SUMMARY and analyzed with a Q-Exactive HF-X hybrid quadrupole-orbitrap mass spectrometer SP:SAMPLEPREP_SUMMARY (Thermo Fisher) coupled to a Vanquish Flex UHPLC system (Thermo Fisher). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic resolution of metabolites was achieved using on a Millipore CH:CHROMATOGRAPHY_SUMMARY ZIC-pHILIC column using a linear gradient of 10 mM ammonium formate pH 9.8 and CH:CHROMATOGRAPHY_SUMMARY acetonitrile. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Vanquish Flex UHPLC CH:COLUMN_NAME Millipore ZIC-pHILIC #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME McBrayer Laboratory #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Spectra were acquired with a resolving power of 60,000 full width at half MS:MS_COMMENTS maximum (FWHM), a scan range set to 80–1,200 m/z, and polarity switching. MS:MS_COMMENTS Data-dependent MS/MS data was acquired on unlabeled pooled samples to confirm MS:MS_COMMENTS metabolite IDs when necessary. Peaks were integrated using El-Maven 0.12.0 MS:MS_COMMENTS software (Elucidata) or TraceFinder 5.1 SP2 software (Thermo Fisher). Total ion MS:MS_COMMENTS counts were quantified using Freestyle 1.7 SP1 software (Thermo Fisher). Peaks MS:MS_COMMENTS were normalized to total ion counts using the R statistical programming MS:MS_COMMENTS language. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS TIC-Corrected Peak Area MS_METABOLITE_DATA_START Samples ML-01_Negative ML-02_Negative ML-03_Negative ML-04_Negative ML-05_Negative ML-06_Negative ML-07_Negative ML-08_Negative ML-09_Negative ML-10_Negative ML-11_Negative ML-12_Negative ML-13_Negative ML-14_Negative ML-15_Negative ML-16_Negative ML-17_Negative ML-18_Negative ML-19_Negative ML-20_Negative ML-21_Negative ML-22_Negative ML-23_Negative ML-24_Negative ML-25_Negative ML-26_Negative ML-27_Negative ML-28_Negative ML-29_Negative ML-30_Negative ML-31_Negative ML-32_Negative ML-33_Negative Factors Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:BAY2402234 Genotype:Pooled Sample | Treatment:N/A 1-Hydroxy-2-naphthoate 3.58E+06 3.73E+06 3.45E+06 2.83E+06 5.01E+06 3.54E+06 4.71E+06 3.64E+06 3.04E+06 4.11E+06 3.33E+06 4.38E+06 4.04E+06 4.18E+06 4.50E+06 4.37E+06 3.94E+06 4.38E+06 4.73E+06 4.77E+06 4.23E+06 3.46E+06 3.88E+06 4.94E+06 4.47E+06 4.67E+06 4.36E+06 3.87E+06 3.73E+06 3.21E+06 3.60E+06 4.16E+06 3.86E+06 2',4'-Dihydroxyacetophenone 4.78E+07 1.83E+07 6.28E+07 1.62E+07 1.06E+08 1.95E+07 4.41E+07 1.60E+07 2.62E+07 1.88E+07 2.34E+07 2.38E+07 1.66E+07 2.74E+07 3.33E+07 2.23E+07 2.23E+07 3.08E+07 2.22E+07 2.23E+07 2.00E+07 1.98E+07 2.85E+07 2.46E+07 3.71E+07 2.30E+07 2.09E+07 2.63E+07 2.26E+07 3.37E+07 2.91E+07 4.58E+07 4.06E+07 2-/3-Phosphoglycerate 1.58E+07 1.73E+07 2.73E+07 2.16E+07 1.84E+07 4.19E+07 4.61E+07 7.20E+07 7.61E+07 2.13E+07 1.48E+07 2.57E+07 3.98E+07 3.29E+07 5.55E+07 2.48E+07 3.18E+07 3.01E+07 1.35E+07 2.56E+07 3.01E+07 3.94E+07 3.00E+07 1.50E+07 2.65E+07 2.18E+07 2.89E+07 3.25E+07 3.22E+07 3.84E+07 1.63E+07 9.02E+06 3.44E+07 2-Hydroxy-4-(methylthio)butanoate 2.55E+06 2.51E+06 1.76E+06 1.22E+06 3.36E+06 3.87E+06 2.72E+06 2.13E+06 4.32E+06 2.82E+06 1.25E+06 1.92E+06 3.46E+06 3.07E+06 2.30E+06 1.67E+06 2.94E+06 3.52E+06 1.23E+06 1.62E+06 3.01E+06 3.33E+06 1.72E+06 1.74E+06 3.19E+06 2.75E+06 2.02E+06 1.39E+06 3.82E+06 4.26E+06 1.99E+06 2.09E+06 2.95E+06 2-Hydroxybutyrate 3.54E+07 4.12E+07 4.01E+07 2.88E+07 4.10E+07 6.10E+07 5.44E+07 5.17E+07 7.23E+07 3.96E+07 2.42E+07 2.94E+07 4.41E+07 4.03E+07 4.55E+07 3.05E+07 3.87E+07 3.88E+07 2.01E+07 2.80E+07 3.67E+07 4.14E+07 2.86E+07 2.36E+07 3.74E+07 3.25E+07 3.72E+07 2.75E+07 4.88E+07 5.76E+07 3.87E+07 2.79E+07 4.20E+07 2-Hydroxyglutarate 1.04E+09 9.60E+08 6.53E+08 4.73E+08 2.75E+10 4.58E+10 2.87E+10 3.20E+10 1.43E+09 7.52E+08 3.73E+08 3.85E+08 3.32E+10 3.21E+10 3.20E+10 2.07E+10 1.02E+09 8.60E+08 3.10E+08 4.69E+08 2.78E+10 3.17E+10 2.33E+10 1.78E+10 9.88E+08 9.14E+08 4.81E+08 4.68E+08 3.19E+10 3.91E+10 1.63E+10 1.36E+10 2.08E+10 2-Hydroxyphenylacetate 2.24E+06 2.08E+06 2.53E+06 2.29E+06 2.73E+06 2.35E+06 2.81E+06 2.47E+06 2.68E+06 2.48E+06 2.26E+06 2.65E+06 2.55E+06 2.62E+06 3.01E+06 2.73E+06 2.55E+06 2.21E+06 2.31E+06 2.78E+06 2.15E+06 2.03E+06 2.22E+06 2.48E+06 2.45E+06 2.36E+06 2.27E+06 2.69E+06 2.60E+06 2.20E+06 2.16E+06 2.35E+06 2.62E+06 2-Mannosyl-3-phosphoglycerate 5.36E+06 6.75E+06 1.56E+06 7.91E+05 2.57E+06 6.77E+06 1.99E+06 2.96E+06 1.56E+07 4.74E+06 9.51E+05 1.28E+06 5.26E+06 4.65E+06 1.49E+06 4.92E+05 8.52E+06 7.53E+06 6.68E+05 1.80E+06 4.57E+06 5.24E+06 7.33E+05 8.10E+04 1.00E+07 7.87E+06 2.21E+06 1.92E+06 6.95E+06 8.65E+06 7.86E+05 1.12E+05 4.63E+06 3-(2-Hydroxyphenyl)propanoate 8.73E+07 8.77E+07 2.73E+07 2.40E+07 1.12E+08 1.00E+08 5.43E+07 4.39E+07 1.18E+08 9.09E+07 2.44E+07 3.30E+07 9.87E+07 9.47E+07 4.61E+07 3.94E+07 9.47E+07 1.02E+08 2.47E+07 2.85E+07 1.02E+08 1.08E+08 4.01E+07 4.23E+07 1.05E+08 1.14E+08 3.11E+07 2.65E+07 1.34E+08 1.26E+08 5.23E+07 5.52E+07 6.65E+07 3-(4-Hydroxyphenyl)pyruvate 1.36E+07 1.55E+07 1.01E+07 8.50E+06 1.83E+07 1.76E+07 1.36E+07 1.12E+07 2.08E+07 1.73E+07 7.11E+06 9.91E+06 1.80E+07 1.69E+07 1.15E+07 8.61E+06 1.68E+07 1.90E+07 4.92E+06 8.77E+06 1.40E+07 1.42E+07 4.69E+06 7.33E+06 1.27E+07 1.20E+07 5.49E+06 3.60E+06 9.86E+06 9.27E+06 6.28E+06 5.45E+06 1.11E+07 3-Dehydroshikimate 5.58E+06 5.06E+06 5.43E+06 4.61E+06 5.14E+06 5.12E+06 5.78E+06 6.38E+06 6.26E+06 4.81E+06 4.39E+06 3.76E+06 5.96E+06 5.55E+06 4.85E+06 5.58E+06 6.07E+06 5.43E+06 5.00E+06 5.54E+06 5.69E+06 5.79E+06 6.37E+06 4.82E+06 5.98E+06 7.11E+06 5.92E+06 5.31E+06 5.52E+06 6.27E+06 5.29E+06 5.62E+06 7.08E+06 3-Hydroxybutyrate 1.70E+07 1.96E+07 2.96E+07 2.28E+07 1.63E+07 2.71E+07 2.95E+07 2.84E+07 3.86E+07 1.85E+07 1.82E+07 2.39E+07 2.03E+07 1.86E+07 2.50E+07 1.55E+07 1.98E+07 2.03E+07 1.58E+07 2.25E+07 1.56E+07 1.86E+07 1.56E+07 1.26E+07 1.83E+07 1.45E+07 2.94E+07 2.15E+07 1.81E+07 2.00E+07 1.77E+07 1.23E+07 2.27E+07 3-Hydroxymethylglutarate 5.48E+08 5.81E+08 1.03E+09 8.26E+08 4.53E+08 7.47E+08 8.16E+08 9.15E+08 9.68E+08 5.50E+08 7.12E+08 7.59E+08 5.60E+08 5.58E+08 9.13E+08 6.22E+08 6.82E+08 6.33E+08 5.23E+08 8.10E+08 5.03E+08 5.57E+08 6.56E+08 5.03E+08 6.58E+08 6.16E+08 9.18E+08 8.69E+08 5.41E+08 6.43E+08 4.83E+08 4.05E+08 7.41E+08 3-Methyl-2-oxindole 5.21E+05 9.45E+05 1.08E+06 1.09E+06 7.19E+05 1.28E+06 1.32E+06 8.35E+05 1.94E+06 9.33E+05 5.95E+05 1.15E+06 1.03E+06 7.20E+05 1.26E+06 1.12E+06 7.48E+05 8.33E+05 6.84E+05 9.70E+05 5.66E+05 9.78E+05 4.09E+05 5.86E+05 7.67E+05 2.51E+05 7.68E+05 3.18E+05 3.65E+05 1.11E+06 5.65E+05 2.42E+05 4.28E+05 3-Methyl-2-oxovalerate 4.28E+10 4.10E+10 2.79E+10 2.69E+10 5.31E+10 4.53E+10 3.76E+10 3.34E+10 5.10E+10 4.29E+10 2.54E+10 3.06E+10 4.36E+10 4.01E+10 3.20E+10 2.51E+10 3.99E+10 4.08E+10 2.59E+10 2.56E+10 3.74E+10 3.96E+10 2.59E+10 2.82E+10 3.96E+10 4.22E+10 2.78E+10 2.08E+10 3.64E+10 3.92E+10 3.78E+10 3.68E+10 3.28E+10 3-Sulfinoalanine 1.05E+07 1.22E+07 6.65E+06 4.15E+06 1.28E+07 3.13E+07 4.58E+06 3.05E+06 1.88E+07 1.43E+07 2.25E+06 3.52E+06 2.09E+07 1.79E+07 3.69E+06 2.87E+06 1.22E+07 1.31E+07 3.86E+06 3.56E+06 1.98E+07 1.92E+07 1.07E+06 2.24E+06 1.66E+07 9.37E+06 5.21E+06 3.80E+06 1.45E+07 2.47E+07 4.54E+06 3.84E+06 1.24E+07 4-Pyridoxate 1.89E+07 1.60E+07 1.98E+07 2.07E+07 2.68E+07 2.24E+07 3.36E+07 3.10E+07 2.63E+07 2.23E+07 1.91E+07 2.48E+07 1.91E+07 1.91E+07 2.40E+07 1.95E+07 1.42E+07 1.69E+07 2.18E+07 1.97E+07 1.76E+07 1.73E+07 1.59E+07 2.02E+07 2.04E+07 2.08E+07 2.71E+07 1.58E+07 1.84E+07 2.01E+07 4.49E+07 4.29E+07 2.01E+07 6-Carboxyhexanoate 9.43E+05 1.37E+06 2.06E+06 1.28E+06 9.00E+05 5.95E+05 9.41E+05 9.72E+05 1.90E+06 1.48E+06 1.32E+06 2.20E+06 7.13E+05 6.16E+05 1.99E+06 1.91E+06 1.30E+06 4.65E+05 2.07E+06 2.17E+06 1.20E+06 4.65E+05 8.89E+05 5.42E+05 6.67E+05 2.09E+06 2.30E+06 3.27E+06 1.00E+06 9.19E+05 7.72E+05 1.19E+06 7.33E+05 6-Phosphogluconate 1.61E+07 1.47E+07 1.93E+07 1.36E+07 1.54E+07 4.19E+07 1.44E+07 2.19E+07 2.97E+07 8.31E+06 4.50E+06 6.68E+06 1.73E+07 1.35E+07 1.84E+07 8.31E+06 1.18E+07 1.16E+07 4.50E+06 8.20E+06 1.66E+07 2.35E+07 1.26E+07 5.97E+06 2.26E+07 1.23E+07 1.87E+07 1.48E+07 2.56E+07 4.49E+07 1.62E+07 1.03E+07 2.27E+07 Acetoin 2.79E+07 2.91E+07 2.80E+07 2.38E+07 2.38E+07 3.53E+07 2.14E+07 2.26E+07 4.35E+07 2.65E+07 1.88E+07 1.91E+07 2.66E+07 2.75E+07 2.33E+07 1.70E+07 3.25E+07 3.10E+07 1.62E+07 2.14E+07 2.38E+07 2.62E+07 1.74E+07 1.53E+07 3.32E+07 3.24E+07 3.27E+07 2.29E+07 2.65E+07 3.25E+07 1.61E+07 1.61E+07 2.70E+07 Acetylacrylate 1.34E+08 1.51E+08 1.76E+08 1.52E+08 1.54E+08 2.18E+08 2.66E+08 2.36E+08 2.73E+08 1.77E+08 1.43E+08 1.72E+08 1.76E+08 1.64E+08 1.95E+08 1.47E+08 1.59E+08 1.49E+08 1.40E+08 1.46E+08 1.37E+08 1.46E+08 1.14E+08 1.03E+08 1.48E+08 1.22E+08 2.00E+08 1.26E+08 1.33E+08 1.50E+08 2.06E+08 1.60E+08 1.78E+08 Adenosine diphosphate 9.43E+07 1.29E+08 2.08E+08 1.65E+08 1.30E+08 3.53E+08 2.25E+08 3.58E+08 4.17E+08 1.17E+08 9.23E+07 1.44E+08 2.08E+08 1.82E+08 2.89E+08 1.43E+08 1.65E+08 1.67E+08 8.55E+07 1.58E+08 1.44E+08 1.79E+08 1.65E+08 1.03E+08 2.21E+08 1.45E+08 1.89E+08 1.99E+08 1.90E+08 3.05E+08 1.09E+08 7.14E+07 1.94E+08 Adenosine diphosphate ribose N/F 1.34E+05 9.27E+05 9.95E+05 1.10E+06 1.72E+06 9.33E+05 1.86E+06 2.08E+06 4.01E+05 3.85E+05 8.38E+05 5.30E+05 2.90E+05 1.70E+06 9.70E+05 7.56E+05 4.31E+05 2.20E+05 8.32E+05 9.33E+05 1.37E+06 1.43E+06 1.00E+06 9.18E+05 6.76E+05 1.08E+06 1.14E+06 1.66E+06 2.77E+06 1.06E+06 1.11E+05 2.28E+06 Adipate 6.23E+06 8.79E+06 1.11E+07 1.02E+07 6.09E+06 7.58E+06 6.95E+06 7.30E+06 1.08E+07 6.44E+06 7.05E+06 8.63E+06 5.67E+06 6.21E+06 9.44E+06 6.84E+06 8.08E+06 6.51E+06 6.65E+06 7.59E+06 5.80E+06 5.08E+06 5.20E+06 5.25E+06 6.07E+06 6.23E+06 6.99E+06 1.08E+07 8.76E+06 5.55E+06 4.63E+06 4.67E+06 7.30E+06 Ala-Leu 2.17E+06 2.19E+06 3.73E+06 4.09E+06 4.31E+06 7.20E+06 4.62E+06 6.38E+06 4.36E+06 2.85E+06 2.02E+06 3.62E+06 4.57E+06 4.41E+06 6.33E+06 5.00E+06 2.61E+06 2.77E+06 2.06E+06 3.25E+06 4.06E+06 4.04E+06 3.52E+06 3.28E+06 7.33E+06 5.45E+06 6.66E+06 7.68E+06 9.72E+06 1.26E+07 1.06E+07 8.44E+06 4.56E+06 Allantoin 3.21E+07 2.69E+07 2.56E+07 2.35E+07 3.55E+07 2.54E+07 3.00E+07 2.41E+07 2.27E+07 2.96E+07 2.57E+07 2.78E+07 3.00E+07 3.20E+07 2.86E+07 2.89E+07 3.02E+07 3.00E+07 2.56E+07 2.61E+07 2.86E+07 2.72E+07 2.45E+07 3.07E+07 3.09E+07 3.68E+07 2.49E+07 2.63E+07 3.02E+07 2.74E+07 2.13E+07 3.43E+07 2.15E+07 alpha-Ketoglutarate 1.09E+09 1.24E+09 4.94E+08 3.92E+08 6.34E+08 9.76E+08 5.37E+08 5.98E+08 2.16E+09 1.25E+09 4.41E+08 4.70E+08 9.36E+08 9.06E+08 6.25E+08 4.25E+08 1.73E+09 1.56E+09 3.49E+08 5.24E+08 6.76E+08 7.70E+08 4.22E+08 3.17E+08 1.19E+09 1.27E+09 3.78E+08 3.51E+08 6.67E+08 7.49E+08 3.09E+08 2.45E+08 8.68E+08 Aniline-2-sulfonate 3.16E+06 2.70E+06 4.60E+05 6.10E+05 4.99E+06 5.30E+06 1.40E+06 1.09E+06 3.35E+06 2.17E+06 3.59E+05 6.02E+05 2.27E+06 1.86E+06 7.89E+05 6.08E+05 1.68E+06 1.82E+06 2.50E+05 1.93E+05 2.04E+06 2.07E+06 1.88E+05 3.29E+05 2.71E+06 1.78E+06 8.36E+05 6.34E+05 2.82E+06 4.46E+06 1.42E+06 1.29E+06 1.98E+06 Aspartate 3.71E+08 4.16E+08 4.31E+09 3.50E+09 5.05E+08 9.02E+08 2.88E+09 3.17E+09 7.43E+08 4.49E+08 2.40E+09 2.88E+09 6.24E+08 5.56E+08 3.36E+09 2.15E+09 5.16E+08 4.51E+08 2.20E+09 3.42E+09 4.93E+08 5.35E+08 2.33E+09 1.69E+09 5.12E+08 4.06E+08 3.94E+09 3.77E+09 4.82E+08 5.95E+08 1.76E+09 1.40E+09 1.89E+09 Azelate 8.65E+06 1.47E+07 2.28E+07 1.21E+07 8.77E+06 1.75E+07 9.23E+06 1.88E+07 3.63E+07 1.25E+07 1.35E+07 1.48E+07 1.05E+07 1.12E+07 2.41E+07 1.91E+07 9.99E+06 1.57E+07 9.50E+06 2.68E+07 1.70E+07 8.32E+06 1.57E+07 1.17E+07 9.21E+06 8.57E+06 1.50E+07 3.42E+07 1.93E+07 8.29E+06 9.72E+06 6.99E+06 1.34E+07 cadaverine 1.78E+09 1.90E+09 3.31E+09 2.57E+09 2.12E+09 3.48E+09 3.94E+09 3.63E+09 3.43E+09 2.06E+09 1.87E+09 2.63E+09 2.53E+09 2.22E+09 3.58E+09 2.37E+09 1.94E+09 1.92E+09 1.73E+09 2.28E+09 2.01E+09 2.14E+09 2.21E+09 1.87E+09 1.97E+09 1.51E+09 3.08E+09 2.53E+09 2.18E+09 2.66E+09 2.45E+09 1.90E+09 2.69E+09 CDP-ethanolamine 2.37E+05 2.81E+05 4.41E+05 3.54E+05 2.90E+05 6.17E+05 3.49E+05 4.40E+05 6.65E+05 2.37E+05 1.22E+05 1.83E+05 3.86E+05 3.45E+05 4.28E+05 2.36E+05 3.20E+05 3.38E+05 1.59E+05 2.79E+05 2.91E+05 3.75E+05 3.43E+05 1.80E+05 5.32E+05 4.39E+05 5.90E+05 5.73E+05 6.12E+05 9.09E+05 2.45E+05 1.83E+05 4.12E+05 Citrate/Isocitrate 7.08E+09 7.15E+09 4.90E+09 3.73E+09 6.23E+09 1.04E+10 5.72E+09 6.55E+09 1.06E+10 4.80E+09 9.72E+08 1.53E+09 5.73E+09 5.17E+09 4.45E+09 2.07E+09 5.33E+09 4.97E+09 9.01E+08 1.53E+09 4.29E+09 5.14E+09 2.64E+09 1.34E+09 5.60E+09 4.32E+09 2.14E+09 1.75E+09 5.12E+09 7.39E+09 1.86E+09 1.09E+09 4.69E+09 Cyclic ADP-ribose 2.12E+08 2.68E+08 6.29E+08 4.45E+08 2.92E+08 6.67E+08 5.08E+08 6.68E+08 5.82E+08 2.14E+08 2.64E+08 3.30E+08 3.62E+08 3.31E+08 6.57E+08 3.31E+08 3.06E+08 2.90E+08 2.19E+08 3.96E+08 3.11E+08 3.84E+08 4.24E+08 2.53E+08 3.28E+08 2.54E+08 5.05E+08 4.83E+08 4.12E+08 6.00E+08 2.48E+08 1.79E+08 4.62E+08 Cytidine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Decanoate 1.78E+08 1.81E+08 2.51E+08 1.46E+08 1.97E+08 1.51E+08 1.78E+08 1.64E+08 1.57E+08 1.47E+08 1.62E+08 1.83E+08 1.55E+08 1.74E+08 1.94E+08 1.78E+08 1.98E+08 1.85E+08 1.79E+08 1.99E+08 1.64E+08 1.46E+08 1.51E+08 1.80E+08 2.19E+08 2.32E+08 1.79E+08 1.83E+08 1.79E+08 1.63E+08 1.73E+08 2.23E+08 1.89E+08 Deoxyadenosine triphosphate N/F 1.78E+05 2.74E+06 1.70E+06 3.17E+05 6.15E+05 9.00E+05 1.55E+06 1.22E+06 8.58E+04 2.11E+05 7.16E+05 N/F N/F 1.12E+06 3.25E+05 2.57E+05 2.05E+05 4.11E+05 1.06E+06 N/F 1.02E+05 5.84E+05 1.31E+05 2.43E+05 5.55E+04 1.60E+06 1.31E+06 6.92E+04 5.38E+05 8.74E+05 3.98E+05 3.55E+05 Deoxycytidine diphosphate 1.35E+06 6.16E+05 3.16E+05 4.68E+05 4.63E+05 4.68E+05 1.51E+05 1.50E+05 5.79E+05 5.84E+05 5.64E+05 2.54E+05 4.09E+05 4.14E+05 1.54E+05 1.73E+05 4.35E+05 3.96E+05 4.00E+05 2.56E+05 3.19E+05 2.98E+05 1.18E+05 2.17E+05 4.28E+05 5.24E+05 1.07E+05 1.44E+05 3.23E+05 4.04E+05 8.10E+04 1.88E+05 2.26E+05 Deoxycytidine monophosphate 1.02E+07 6.34E+06 1.07E+07 9.67E+06 6.61E+06 1.30E+07 1.23E+07 1.23E+07 1.48E+07 8.52E+06 8.65E+06 9.27E+06 8.38E+06 8.42E+06 1.35E+07 8.20E+06 8.60E+06 9.53E+06 8.30E+06 1.08E+07 7.40E+06 8.17E+06 1.03E+07 7.86E+06 1.01E+07 8.28E+06 1.45E+07 1.81E+07 9.89E+06 1.37E+07 6.40E+06 5.08E+06 1.05E+07 Deoxycytidine triphosphate 9.21E+05 1.09E+06 5.18E+05 4.26E+05 1.05E+06 2.69E+06 5.30E+05 9.26E+05 2.59E+06 7.37E+05 3.41E+05 5.76E+05 1.41E+06 1.23E+06 1.28E+06 6.36E+05 1.14E+06 1.18E+06 4.13E+05 6.95E+05 1.01E+06 1.30E+06 7.14E+05 4.66E+05 2.10E+06 1.33E+06 1.20E+06 1.24E+06 1.58E+06 2.68E+06 7.59E+05 4.67E+05 1.22E+06 Deoxyguanosine diphosphate 2.38E+07 2.92E+07 4.88E+07 3.67E+07 2.83E+07 6.83E+07 3.55E+07 5.07E+07 5.58E+07 1.70E+07 1.43E+07 2.20E+07 2.70E+07 2.32E+07 3.72E+07 1.93E+07 2.03E+07 2.09E+07 1.40E+07 2.17E+07 1.94E+07 2.25E+07 1.96E+07 1.61E+07 3.28E+07 2.23E+07 2.92E+07 2.95E+07 2.76E+07 4.53E+07 1.99E+07 1.40E+07 2.64E+07 Deoxyinosine 5.58E+04 1.98E+05 3.01E+06 2.95E+06 4.39E+05 5.87E+05 3.39E+06 3.95E+06 3.33E+05 9.84E+04 2.51E+06 2.54E+06 3.44E+05 2.54E+05 4.16E+06 3.35E+06 2.09E+05 4.60E+05 2.24E+06 3.35E+06 1.96E+05 2.31E+05 2.75E+06 3.00E+06 3.05E+05 3.99E+05 5.14E+06 4.28E+06 4.72E+05 3.82E+05 1.49E+06 1.72E+06 1.49E+06 Deoxyinosine diphosphate 2.41E+07 1.13E+07 1.25E+07 1.70E+07 9.10E+06 1.00E+07 2.00E+07 2.07E+07 1.51E+07 1.32E+07 1.44E+07 1.17E+07 9.03E+06 7.85E+06 1.10E+07 1.04E+07 8.21E+06 6.28E+06 1.55E+07 1.43E+07 6.36E+06 6.75E+06 8.44E+06 8.71E+06 1.08E+07 9.33E+06 1.66E+07 9.26E+06 6.79E+06 5.97E+06 1.72E+07 1.81E+07 1.07E+07 Deoxypentose monophosphates 4.06E+06 1.03E+07 1.24E+07 1.02E+07 9.76E+06 1.55E+07 2.22E+07 1.79E+07 2.18E+07 1.04E+07 8.57E+06 1.20E+07 1.14E+07 8.95E+06 1.49E+07 9.50E+06 8.84E+06 8.57E+06 9.44E+06 9.88E+06 8.23E+06 1.05E+07 7.90E+06 6.64E+06 8.66E+06 6.26E+06 1.56E+07 7.31E+06 9.20E+06 1.16E+07 1.49E+07 1.03E+07 1.29E+07 Deoxyribose 2.04E+07 2.17E+07 8.69E+07 6.93E+07 1.44E+07 2.56E+07 3.56E+07 3.62E+07 3.53E+07 2.10E+07 4.76E+07 5.63E+07 1.88E+07 1.58E+07 3.62E+07 2.41E+07 2.47E+07 2.47E+07 4.09E+07 6.49E+07 1.59E+07 1.49E+07 3.36E+07 2.65E+07 1.84E+07 1.62E+07 6.53E+07 6.48E+07 1.12E+07 1.39E+07 1.55E+07 1.53E+07 3.64E+07 Deoxyuridine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Deoxyuridine diphosphate 6.31E+04 6.10E+04 5.44E+04 8.33E+04 8.65E+04 4.72E+04 7.97E+04 7.92E+04 7.59E+04 2.80E+05 5.08E+05 3.34E+05 3.22E+05 4.21E+05 2.74E+05 3.48E+05 4.16E+05 3.45E+05 4.83E+05 3.96E+05 3.41E+05 2.65E+05 3.17E+05 4.71E+05 3.88E+05 6.04E+05 2.70E+05 3.11E+05 2.93E+05 1.98E+05 2.94E+05 5.43E+05 2.16E+05 Deoxyuridine monophosphate 1.02E+07 6.34E+06 1.07E+07 9.67E+06 6.61E+06 1.30E+07 1.23E+07 1.23E+07 1.48E+07 8.52E+06 8.65E+06 9.27E+06 8.38E+06 8.42E+06 1.35E+07 8.20E+06 8.60E+06 9.53E+06 8.30E+06 1.08E+07 7.40E+06 8.17E+06 1.03E+07 7.86E+06 1.01E+07 8.28E+06 1.45E+07 1.81E+07 9.89E+06 1.37E+07 6.40E+06 5.08E+06 1.05E+07 Deoxyuridine triphosphate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Dihydroorotate 3.68E+06 2.41E+06 1.79E+09 1.56E+09 3.38E+06 3.59E+06 1.47E+09 1.56E+09 1.98E+06 1.47E+06 1.16E+09 1.30E+09 1.12E+06 1.00E+06 1.59E+09 1.10E+09 5.57E+05 1.36E+06 8.88E+08 1.28E+09 1.17E+06 1.46E+06 1.12E+09 9.40E+08 4.95E+06 3.05E+06 1.60E+09 1.56E+09 3.31E+06 6.73E+06 9.02E+08 8.07E+08 9.11E+08 Dihydroxyacetone phosphate 3.22E+07 5.28E+07 5.05E+07 3.71E+07 4.61E+07 1.33E+08 3.27E+07 4.10E+07 3.89E+07 1.70E+07 9.59E+06 1.35E+07 3.64E+07 2.75E+07 4.09E+07 1.56E+07 2.08E+07 2.11E+07 6.45E+06 1.41E+07 3.22E+07 4.05E+07 1.97E+07 9.70E+06 3.75E+07 1.95E+07 3.53E+07 2.60E+07 4.98E+07 1.19E+08 2.26E+07 1.56E+07 5.29E+07 dTDP-glucose 1.33E+06 1.85E+06 3.25E+06 2.80E+06 8.60E+05 9.20E+05 3.59E+06 3.78E+06 4.05E+06 1.32E+06 1.29E+06 1.55E+06 6.77E+05 4.91E+05 2.07E+06 1.54E+06 2.14E+06 2.14E+06 6.43E+05 1.74E+06 4.94E+05 N/F 2.09E+06 9.10E+05 2.36E+06 1.56E+06 2.13E+06 2.83E+06 4.32E+05 1.85E+05 1.48E+06 1.90E+06 2.09E+06 Erythritol 7.65E+06 8.44E+06 9.76E+06 8.57E+06 9.98E+06 1.40E+07 1.44E+07 1.34E+07 1.56E+07 9.08E+06 6.72E+06 8.87E+06 1.17E+07 9.06E+06 1.17E+07 8.76E+06 9.48E+06 1.01E+07 6.75E+06 8.60E+06 1.08E+07 1.14E+07 8.88E+06 7.64E+06 1.07E+07 9.06E+06 1.08E+07 8.20E+06 1.09E+07 1.33E+07 1.08E+07 8.16E+06 1.04E+07 Ethylmalonate 1.11E+07 1.17E+07 1.43E+07 1.26E+07 1.24E+07 1.78E+07 2.03E+07 1.91E+07 2.19E+07 1.44E+07 1.27E+07 1.37E+07 1.53E+07 1.44E+07 1.56E+07 1.29E+07 1.44E+07 1.29E+07 1.31E+07 1.34E+07 1.20E+07 1.29E+07 1.07E+07 9.15E+06 1.34E+07 1.21E+07 1.67E+07 1.16E+07 1.21E+07 1.30E+07 1.82E+07 1.43E+07 1.47E+07 FA (12:0) 2.03E+08 2.18E+08 3.15E+08 1.84E+08 2.50E+08 1.66E+08 1.95E+08 1.87E+08 1.95E+08 2.22E+08 2.32E+08 2.11E+08 1.76E+08 2.25E+08 2.53E+08 2.72E+08 2.19E+08 2.39E+08 2.12E+08 2.88E+08 2.04E+08 1.74E+08 1.97E+08 1.92E+08 2.55E+08 3.28E+08 2.42E+08 2.02E+08 3.12E+08 1.95E+08 2.40E+08 2.79E+08 2.09E+08 FA (14:0) 2.71E+08 3.04E+08 3.63E+08 2.89E+08 3.79E+08 2.33E+08 3.03E+08 2.92E+08 3.40E+08 3.03E+08 3.30E+08 3.22E+08 2.55E+08 3.21E+08 3.16E+08 2.47E+08 4.02E+08 3.73E+08 4.02E+08 4.48E+08 2.88E+08 3.16E+08 2.49E+08 3.44E+08 4.99E+08 5.85E+08 4.67E+08 3.30E+08 3.14E+08 2.79E+08 3.19E+08 4.32E+08 3.14E+08 FA (16:0) 6.94E+09 5.94E+09 5.71E+09 6.92E+09 9.13E+09 5.05E+09 6.57E+09 9.37E+09 7.26E+09 6.42E+09 8.20E+09 8.27E+09 5.57E+09 8.33E+09 7.83E+09 4.41E+09 1.02E+10 8.47E+09 6.43E+09 7.34E+09 7.49E+09 6.57E+09 7.27E+09 9.71E+09 8.35E+09 9.85E+09 8.76E+09 7.26E+09 6.68E+09 7.85E+09 7.05E+09 1.18E+10 6.24E+09 FA (16:1) 1.10E+08 1.02E+08 1.46E+08 1.34E+08 1.72E+08 1.09E+08 1.45E+08 9.96E+07 2.14E+08 1.24E+08 1.19E+08 1.49E+08 1.25E+08 1.65E+08 1.05E+08 9.24E+07 1.80E+08 2.24E+08 2.59E+08 2.70E+08 1.39E+08 2.04E+08 1.01E+08 1.37E+08 4.37E+08 4.45E+08 2.79E+08 1.36E+08 1.26E+08 1.21E+08 1.33E+08 1.58E+08 1.20E+08 FA (18:0) 5.16E+09 3.75E+09 3.51E+09 5.27E+09 6.41E+09 3.53E+09 4.59E+09 6.80E+09 5.22E+09 4.69E+09 6.33E+09 6.33E+09 3.89E+09 6.26E+09 5.81E+09 3.06E+09 7.71E+09 6.38E+09 4.40E+09 4.83E+09 5.68E+09 4.77E+09 5.18E+09 7.24E+09 5.46E+09 6.72E+09 5.59E+09 5.00E+09 4.78E+09 5.68E+09 4.95E+09 8.60E+09 4.21E+09 FA (18:1) 7.04E+08 5.15E+08 7.04E+08 9.54E+08 1.06E+09 8.43E+08 8.53E+08 1.03E+09 8.31E+08 7.17E+08 8.03E+08 8.98E+08 7.86E+08 9.37E+08 9.69E+08 7.30E+08 9.92E+08 9.34E+08 9.36E+08 1.07E+09 9.43E+08 9.84E+08 1.05E+09 1.30E+09 1.35E+09 1.44E+09 1.16E+09 1.06E+09 9.84E+08 1.08E+09 1.26E+09 1.77E+09 8.21E+08 FA (20:0) 5.98E+07 2.37E+07 4.38E+07 5.78E+07 6.37E+07 4.76E+07 5.23E+07 6.02E+07 5.59E+07 5.75E+07 6.58E+07 6.16E+07 5.36E+07 7.40E+07 7.02E+07 5.24E+07 7.51E+07 6.79E+07 5.99E+07 6.60E+07 6.63E+07 6.23E+07 5.91E+07 7.92E+07 7.55E+07 9.58E+07 6.15E+07 6.11E+07 7.12E+07 6.52E+07 6.19E+07 8.87E+07 5.27E+07 FA (20:2) 1.34E+07 1.65E+06 4.80E+06 1.75E+07 2.26E+07 1.87E+07 1.47E+07 2.03E+07 1.51E+07 1.01E+07 1.46E+07 1.75E+07 1.53E+07 1.87E+07 1.73E+07 1.89E+07 1.62E+07 1.90E+07 2.63E+07 2.63E+07 2.23E+07 2.75E+07 2.35E+07 3.23E+07 4.00E+07 4.51E+07 2.94E+07 2.66E+07 2.33E+07 2.51E+07 2.91E+07 4.00E+07 1.41E+07 FA (8:0) 2.85E+08 3.29E+08 3.84E+08 4.21E+08 3.00E+08 2.62E+08 3.89E+08 3.77E+08 3.64E+08 2.13E+08 2.36E+08 3.19E+08 3.25E+08 3.09E+08 3.85E+08 2.59E+08 2.40E+08 2.60E+08 2.27E+08 2.69E+08 2.46E+08 2.07E+08 2.29E+08 2.59E+08 2.79E+08 2.63E+08 2.52E+08 2.31E+08 2.24E+08 2.18E+08 2.98E+08 3.64E+08 3.13E+08 Fructose 1,6-bisphosphate 5.05E+08 6.15E+08 5.18E+08 3.36E+08 4.83E+08 1.51E+09 5.22E+08 8.64E+08 2.60E+09 6.48E+08 2.05E+08 3.43E+08 1.00E+09 8.53E+08 8.83E+08 3.53E+08 1.20E+09 1.13E+09 2.12E+08 4.02E+08 6.69E+08 9.16E+08 4.11E+08 2.16E+08 1.78E+09 1.13E+09 7.17E+08 6.18E+08 1.26E+09 2.11E+09 2.53E+08 1.42E+08 8.73E+08 Fructose 6-phosphate 1.54E+08 2.00E+08 2.04E+08 1.49E+08 1.75E+08 4.45E+08 1.80E+08 2.53E+08 5.18E+08 1.60E+08 6.29E+07 9.85E+07 2.40E+08 2.10E+08 2.66E+08 1.20E+08 2.51E+08 2.49E+08 5.69E+07 1.19E+08 2.08E+08 2.63E+08 1.47E+08 8.51E+07 3.66E+08 2.52E+08 2.29E+08 2.47E+08 3.42E+08 5.64E+08 1.33E+08 8.62E+07 2.79E+08 Fumarate 4.32E+08 4.51E+08 9.34E+08 7.46E+08 3.63E+08 6.41E+08 7.82E+08 8.90E+08 7.53E+08 4.04E+08 5.62E+08 6.64E+08 4.67E+08 4.45E+08 9.10E+08 5.89E+08 5.12E+08 4.68E+08 4.62E+08 7.51E+08 3.83E+08 4.36E+08 6.66E+08 4.62E+08 4.73E+08 4.25E+08 8.19E+08 8.03E+08 4.36E+08 5.48E+08 4.68E+08 3.61E+08 6.63E+08 Galactarate 1.68E+05 4.84E+05 2.35E+05 N/F 2.31E+05 2.38E+06 2.13E+05 4.39E+05 2.77E+06 2.91E+05 N/F 2.98E+04 6.12E+05 1.94E+05 7.01E+04 N/F 4.31E+05 6.37E+05 N/F N/F 4.22E+05 7.38E+05 5.26E+04 N/F 1.11E+06 3.24E+05 2.28E+05 N/F 1.13E+06 2.62E+06 1.29E+05 N/F 3.73E+05 Glu-Asp 9.18E+07 1.03E+08 1.35E+08 9.36E+07 9.77E+07 2.40E+08 1.49E+08 1.65E+08 1.99E+08 8.28E+07 3.36E+07 6.34E+07 1.25E+08 9.36E+07 1.43E+08 6.27E+07 9.22E+07 9.15E+07 3.45E+07 7.63E+07 9.81E+07 1.15E+08 9.21E+07 4.32E+07 1.22E+08 6.79E+07 1.04E+08 9.04E+07 1.13E+08 1.78E+08 6.30E+07 2.48E+07 1.41E+08 Gluconate 4.33E+08 6.00E+08 9.70E+08 6.11E+08 5.12E+08 1.63E+09 8.03E+08 1.09E+09 2.22E+09 5.32E+08 2.68E+08 5.48E+08 9.14E+08 7.02E+08 1.03E+09 4.44E+08 8.34E+08 8.39E+08 2.70E+08 5.96E+08 7.00E+08 9.38E+08 5.81E+08 2.82E+08 8.12E+08 5.05E+08 1.05E+09 8.70E+08 1.05E+09 1.74E+09 4.32E+08 1.97E+08 1.14E+09 Gluconolactone 7.56E+06 5.90E+06 6.99E+06 6.60E+06 7.92E+06 8.31E+06 1.21E+07 1.15E+07 1.19E+07 8.34E+06 7.02E+06 8.52E+06 7.51E+06 6.95E+06 9.26E+06 6.69E+06 6.76E+06 6.49E+06 5.92E+06 6.89E+06 5.44E+06 5.96E+06 5.45E+06 5.08E+06 6.19E+06 5.25E+06 7.79E+06 5.45E+06 5.95E+06 6.85E+06 8.67E+06 7.44E+06 6.35E+06 Glucosamine 6-phosphate 6.96E+06 9.28E+06 2.87E+07 1.86E+07 9.97E+06 2.27E+07 3.37E+07 4.01E+07 2.07E+07 6.97E+06 9.08E+06 1.28E+07 1.34E+07 1.19E+07 3.70E+07 1.60E+07 9.58E+06 8.41E+06 9.94E+06 2.03E+07 1.17E+07 1.41E+07 2.92E+07 1.49E+07 9.35E+06 7.00E+06 2.33E+07 1.98E+07 1.44E+07 2.22E+07 1.28E+07 6.64E+06 1.72E+07 Glucose 4.66E+07 3.86E+07 3.36E+07 3.10E+07 3.71E+07 4.44E+07 3.83E+07 3.49E+07 4.41E+07 3.73E+07 2.42E+07 2.68E+07 3.74E+07 3.71E+07 3.36E+07 2.84E+07 3.54E+07 3.19E+07 2.24E+07 2.13E+07 3.39E+07 3.28E+07 2.27E+07 2.30E+07 3.24E+07 3.18E+07 2.56E+07 2.32E+07 3.65E+07 3.58E+07 3.04E+07 3.06E+07 3.37E+07 Glucose 6-phosphate 9.95E+07 1.14E+08 1.80E+08 1.39E+08 1.18E+08 2.32E+08 7.66E+07 8.32E+07 1.02E+08 4.42E+07 3.06E+07 4.05E+07 6.45E+07 5.53E+07 8.85E+07 4.84E+07 5.80E+07 5.17E+07 2.65E+07 4.69E+07 5.39E+07 6.67E+07 6.06E+07 3.31E+07 1.28E+08 7.41E+07 1.84E+08 1.47E+08 1.21E+08 2.52E+08 1.27E+08 1.00E+08 1.38E+08 Glucuronolactone 1.43E+06 1.36E+06 6.75E+05 4.30E+05 1.71E+06 1.87E+06 6.52E+05 4.73E+05 1.28E+06 7.90E+05 5.48E+04 3.74E+05 8.48E+05 7.97E+05 6.01E+05 3.73E+05 9.96E+05 8.82E+05 2.24E+05 2.68E+05 7.94E+05 8.50E+05 2.13E+05 3.15E+05 1.25E+06 8.87E+05 5.23E+05 3.88E+05 1.32E+06 1.89E+06 6.22E+05 5.49E+05 7.74E+05 Glu-Glu 1.25E+07 1.10E+07 9.00E+06 6.33E+06 7.89E+06 1.83E+07 8.29E+06 9.00E+06 2.68E+07 1.13E+07 3.71E+06 5.52E+06 1.23E+07 1.03E+07 9.20E+06 5.62E+06 1.46E+07 1.38E+07 4.21E+06 7.09E+06 1.05E+07 1.23E+07 6.84E+06 4.53E+06 2.00E+07 1.38E+07 9.80E+06 1.14E+07 1.83E+07 2.71E+07 7.60E+06 4.83E+06 1.75E+07 Glutarate 1.71E+07 1.93E+07 1.59E+07 1.22E+07 1.39E+07 2.74E+07 1.11E+07 1.42E+07 3.59E+07 1.75E+07 8.77E+06 9.76E+06 1.88E+07 1.75E+07 1.39E+07 7.97E+06 2.31E+07 2.06E+07 7.76E+06 1.11E+07 1.58E+07 1.91E+07 9.34E+06 6.45E+06 2.24E+07 2.22E+07 1.51E+07 1.52E+07 1.89E+07 2.51E+07 7.97E+06 7.09E+06 1.97E+07 Glyceraldehyde 3-phosphate 6.27E+07 9.03E+07 1.04E+08 6.61E+07 7.46E+07 1.85E+08 1.60E+08 2.26E+08 1.75E+08 3.82E+07 3.76E+07 6.39E+07 8.11E+07 5.94E+07 1.83E+08 8.32E+07 5.39E+07 5.62E+07 3.23E+07 6.85E+07 6.27E+07 8.57E+07 1.17E+08 6.08E+07 5.90E+07 3.74E+07 8.42E+07 7.76E+07 7.74E+07 1.35E+08 7.19E+07 4.24E+07 1.84E+08 Glycerol 3-phosphate 5.00E+07 4.88E+07 8.11E+07 7.03E+07 8.22E+07 1.90E+08 9.07E+07 1.16E+08 1.06E+08 3.89E+07 3.22E+07 5.28E+07 9.95E+07 8.80E+07 9.89E+07 4.99E+07 5.63E+07 5.60E+07 3.05E+07 5.46E+07 1.24E+08 1.62E+08 7.60E+07 4.23E+07 1.86E+07 1.53E+07 2.66E+07 2.35E+07 7.44E+07 9.37E+07 5.22E+07 2.90E+07 9.92E+07 Glycerophosphoethanolamine 9.36E+07 1.11E+08 3.40E+08 2.28E+08 1.34E+08 3.22E+08 3.87E+08 4.49E+08 2.49E+08 9.97E+07 1.41E+08 2.08E+08 2.08E+08 1.76E+08 4.71E+08 2.56E+08 1.28E+08 1.26E+08 1.39E+08 2.47E+08 1.78E+08 2.05E+08 3.19E+08 2.12E+08 1.33E+08 9.63E+07 3.46E+08 3.12E+08 2.15E+08 3.05E+08 2.53E+08 1.63E+08 2.72E+08 Glycerophosphoinositol 2.07E+08 2.29E+08 4.21E+08 3.17E+08 2.50E+08 4.59E+08 3.75E+08 4.26E+08 3.76E+08 1.93E+08 2.18E+08 2.65E+08 3.32E+08 3.03E+08 4.26E+08 2.81E+08 2.54E+08 2.37E+08 2.44E+08 3.89E+08 3.15E+08 3.56E+08 4.19E+08 3.01E+08 2.80E+08 2.51E+08 4.22E+08 4.00E+08 3.98E+08 5.11E+08 2.74E+08 2.04E+08 3.47E+08 Glycochenodeoxycholate 3.65E+07 3.09E+07 3.92E+07 3.93E+07 4.43E+07 3.72E+07 4.32E+07 4.43E+07 3.53E+07 3.15E+07 3.37E+07 3.72E+07 2.69E+07 2.69E+07 3.09E+07 2.91E+07 2.08E+07 2.05E+07 4.26E+07 3.46E+07 2.50E+07 2.64E+07 2.65E+07 2.68E+07 3.41E+07 2.79E+07 3.82E+07 2.23E+07 1.85E+07 1.79E+07 7.31E+07 6.94E+07 3.06E+07 Glycocholate 7.06E+05 1.25E+06 1.61E+06 1.57E+06 1.77E+06 1.75E+06 3.14E+06 2.55E+06 2.30E+06 1.41E+06 1.03E+06 1.84E+06 1.40E+06 9.61E+05 1.75E+06 1.39E+06 8.06E+05 1.13E+06 1.70E+06 1.48E+06 9.80E+05 1.14E+06 8.63E+05 1.02E+06 1.58E+06 8.24E+05 2.22E+06 9.43E+05 1.06E+06 1.00E+06 3.62E+06 2.87E+06 1.71E+06 Gly-Leu 1.92E+06 2.31E+06 2.84E+06 3.45E+06 1.94E+06 7.48E+06 5.95E+06 4.91E+06 5.00E+06 1.66E+06 9.37E+05 1.87E+06 1.98E+06 1.28E+06 3.38E+06 1.45E+06 2.06E+06 1.36E+06 5.33E+05 1.34E+06 2.00E+06 2.55E+06 1.26E+06 9.79E+05 3.43E+06 1.56E+06 3.33E+06 2.79E+06 3.68E+06 6.13E+06 3.04E+06 1.97E+06 3.46E+06 Guanosine diphosphate 9.11E+06 1.17E+07 1.88E+07 1.39E+07 1.18E+07 3.31E+07 1.92E+07 3.10E+07 3.45E+07 8.20E+06 6.44E+06 1.11E+07 1.84E+07 1.65E+07 2.51E+07 1.13E+07 1.20E+07 1.35E+07 7.48E+06 1.28E+07 1.25E+07 1.60E+07 1.38E+07 8.34E+06 2.65E+07 1.52E+07 2.22E+07 2.19E+07 1.99E+07 3.51E+07 1.39E+07 8.13E+06 1.60E+07 Guanosine diphosphate mannose 9.41E+06 1.13E+07 3.30E+07 2.46E+07 1.21E+07 2.89E+07 2.36E+07 3.30E+07 2.69E+07 8.53E+06 1.06E+07 1.61E+07 1.69E+07 1.37E+07 3.23E+07 1.50E+07 1.27E+07 1.27E+07 1.10E+07 2.12E+07 1.33E+07 1.61E+07 1.89E+07 1.14E+07 1.77E+07 1.25E+07 3.09E+07 2.71E+07 1.80E+07 2.87E+07 1.61E+07 1.03E+07 2.02E+07 Guanosine monophosphate 2.39E+06 3.19E+06 4.12E+06 3.66E+06 2.62E+06 6.33E+06 3.85E+06 8.19E+06 9.53E+06 3.07E+06 2.69E+06 3.81E+06 4.24E+06 4.49E+06 7.65E+06 4.26E+06 4.97E+06 4.90E+06 2.48E+06 3.23E+06 3.19E+06 3.69E+06 3.62E+06 2.43E+06 4.25E+06 3.37E+06 4.15E+06 4.87E+06 3.91E+06 4.85E+06 5.19E+06 3.18E+06 4.87E+06 Guanosine triphosphate 1.46E+07 1.77E+07 2.87E+07 2.17E+07 2.01E+07 5.74E+07 2.15E+07 3.63E+07 4.35E+07 8.10E+06 4.08E+06 9.72E+06 1.74E+07 1.47E+07 2.47E+07 9.68E+06 1.24E+07 1.44E+07 6.60E+06 1.07E+07 1.18E+07 1.76E+07 1.18E+07 7.29E+06 3.36E+07 1.76E+07 2.85E+07 2.13E+07 2.17E+07 4.76E+07 2.35E+07 1.22E+07 1.74E+07 Hexitols 2.80E+08 3.20E+08 1.76E+08 1.40E+08 3.25E+08 5.06E+08 2.56E+08 2.50E+08 5.36E+08 3.08E+08 1.14E+08 1.50E+08 3.86E+08 3.49E+08 2.18E+08 1.60E+08 3.25E+08 3.30E+08 1.19E+08 1.42E+08 3.88E+08 4.25E+08 1.52E+08 1.28E+08 3.47E+08 2.89E+08 1.99E+08 1.49E+08 4.50E+08 5.30E+08 2.05E+08 1.59E+08 3.17E+08 Hippurate 1.03E+08 8.67E+07 9.39E+07 1.01E+08 1.11E+08 1.09E+08 1.74E+08 1.45E+08 1.40E+08 1.07E+08 1.02E+08 1.24E+08 9.88E+07 9.07E+07 1.15E+08 9.24E+07 8.15E+07 7.78E+07 1.03E+08 9.84E+07 7.99E+07 8.51E+07 8.06E+07 8.09E+07 9.38E+07 8.48E+07 1.28E+08 8.10E+07 8.73E+07 8.56E+07 1.57E+08 1.41E+08 9.82E+07 Hydroxy-FA (10:0) 1.66E+07 2.02E+07 3.53E+07 2.10E+07 2.60E+07 2.06E+07 1.80E+07 1.73E+07 2.04E+07 2.45E+07 1.65E+07 2.17E+07 1.83E+07 2.18E+07 2.65E+07 2.82E+07 1.73E+07 1.98E+07 1.89E+07 2.44E+07 2.42E+07 1.68E+07 1.70E+07 2.14E+07 2.24E+07 2.32E+07 1.78E+07 2.18E+07 2.44E+07 1.75E+07 2.34E+07 2.92E+07 2.23E+07 Hydroxy-FA (18:1) 1.28E+08 8.22E+07 1.25E+08 1.21E+08 1.46E+08 2.09E+08 1.26E+08 1.22E+08 1.17E+08 1.18E+08 1.28E+08 1.37E+08 1.27E+08 1.51E+08 1.53E+08 1.28E+08 1.58E+08 1.64E+08 1.38E+08 1.63E+08 1.43E+08 1.24E+08 1.28E+08 1.60E+08 1.83E+08 1.68E+08 1.37E+08 1.37E+08 1.21E+08 1.20E+08 1.55E+08 1.84E+08 1.31E+08 Hydroxy-FA (6:0) 1.05E+08 1.18E+08 7.03E+07 5.07E+07 1.48E+08 1.59E+08 8.84E+07 7.16E+07 1.44E+08 1.14E+08 4.71E+07 5.78E+07 1.21E+08 1.22E+08 8.16E+07 6.57E+07 1.03E+08 1.09E+08 4.24E+07 5.66E+07 1.32E+08 1.43E+08 6.26E+07 5.72E+07 1.16E+08 1.28E+08 5.70E+07 5.17E+07 1.93E+08 1.78E+08 8.08E+07 7.75E+07 8.77E+07 Hydroxy-FA (7:0) 5.61E+06 8.46E+06 1.55E+07 1.01E+07 9.53E+06 5.70E+06 8.05E+06 5.10E+06 6.87E+06 1.57E+07 6.46E+06 7.74E+06 5.85E+06 6.18E+06 2.00E+07 1.36E+07 5.20E+06 5.86E+06 7.25E+06 1.10E+07 7.23E+06 3.11E+06 4.96E+06 4.82E+06 6.76E+06 9.17E+06 5.37E+06 1.28E+07 1.08E+07 4.67E+06 4.93E+06 7.18E+06 5.74E+06 Hydroxy-FA (8:0) 8.44E+06 7.38E+06 1.78E+07 1.30E+07 1.22E+07 1.00E+07 1.04E+07 8.84E+06 1.09E+07 1.57E+07 9.87E+06 1.18E+07 9.15E+06 1.11E+07 1.54E+07 1.32E+07 1.00E+07 1.03E+07 1.05E+07 1.19E+07 1.34E+07 8.26E+06 9.74E+06 1.01E+07 1.10E+07 1.13E+07 1.07E+07 1.15E+07 1.00E+07 9.43E+06 1.08E+07 1.26E+07 1.03E+07 Hydroxyphenyllactate 1.60E+08 1.40E+08 4.48E+07 4.08E+07 1.77E+08 1.98E+08 8.90E+07 7.91E+07 1.97E+08 1.48E+08 3.50E+07 4.03E+07 1.60E+08 1.47E+08 6.75E+07 4.96E+07 1.34E+08 1.46E+08 2.63E+07 3.37E+07 1.23E+08 1.39E+08 4.97E+07 5.77E+07 1.47E+08 1.40E+08 3.98E+07 2.77E+07 1.29E+08 1.80E+08 4.91E+07 4.61E+07 8.68E+07 Indole-3-acetate N/F 1.86E+06 1.75E+06 3.18E+06 4.29E+06 3.74E+06 1.37E+06 2.23E+06 2.32E+06 1.39E+06 6.74E+05 1.98E+06 1.03E+06 4.36E+05 2.17E+06 1.99E+06 1.29E+06 1.69E+06 5.79E+05 4.83E+05 4.69E+05 1.08E+06 1.43E+06 7.80E+05 6.11E+05 1.22E+05 6.08E+05 1.17E+06 1.45E+06 8.60E+05 4.41E+05 1.61E+06 8.66E+05 Indoleacetaldehyde 6.81E+06 1.90E+06 9.86E+06 1.14E+07 9.97E+06 7.91E+06 1.67E+07 1.45E+07 9.74E+06 8.72E+06 1.06E+07 1.30E+07 8.84E+06 8.22E+06 1.16E+07 1.02E+07 6.03E+06 6.08E+06 1.49E+07 1.22E+07 7.19E+06 7.72E+06 8.83E+06 1.17E+07 1.07E+07 8.49E+06 1.74E+07 9.34E+06 6.49E+06 8.19E+06 2.72E+07 2.65E+07 1.05E+07 Indoxyl sulfate 2.48E+06 2.14E+06 2.12E+06 1.78E+06 3.39E+06 2.01E+06 3.44E+06 2.68E+06 2.47E+06 2.37E+06 1.98E+06 2.44E+06 2.28E+06 1.72E+06 2.15E+06 1.97E+06 1.60E+06 1.76E+06 3.09E+06 2.37E+06 2.03E+06 2.08E+06 1.58E+06 2.09E+06 2.85E+06 2.66E+06 2.81E+06 1.54E+06 1.53E+06 1.71E+06 6.33E+06 6.30E+06 2.15E+06 Inosine monophosphate 5.35E+06 6.74E+06 1.56E+06 7.91E+05 2.75E+06 6.92E+06 2.34E+06 3.06E+06 1.56E+07 4.80E+06 9.49E+05 1.28E+06 5.33E+06 4.85E+06 1.69E+06 5.71E+05 8.55E+06 7.54E+06 6.79E+05 1.80E+06 4.86E+06 5.32E+06 8.92E+05 1.22E+05 1.00E+07 7.87E+06 2.21E+06 1.92E+06 7.05E+06 8.67E+06 9.01E+05 1.42E+05 4.76E+06 Itaconate 1.25E+09 7.40E+08 6.16E+08 4.65E+08 3.91E+09 6.70E+09 4.38E+09 4.79E+09 5.91E+08 4.17E+08 3.48E+08 2.75E+08 4.79E+09 4.66E+09 4.75E+09 3.07E+09 4.23E+08 3.18E+08 2.47E+08 2.52E+08 4.05E+09 4.66E+09 3.38E+09 2.55E+09 3.71E+08 3.35E+08 2.29E+08 2.20E+08 4.66E+09 6.06E+09 2.45E+09 1.99E+09 3.04E+09 Lactate 3.68E+10 4.09E+10 3.90E+10 3.10E+10 3.78E+10 5.68E+10 4.78E+10 4.81E+10 6.41E+10 3.79E+10 2.38E+10 2.90E+10 4.36E+10 4.03E+10 4.21E+10 2.81E+10 3.97E+10 3.78E+10 2.04E+10 2.75E+10 3.92E+10 4.29E+10 3.06E+10 2.40E+10 4.01E+10 3.65E+10 3.85E+10 3.08E+10 4.92E+10 5.65E+10 3.78E+10 2.81E+10 4.22E+10 Leu-Val 6.85E+06 4.91E+06 9.59E+06 1.03E+07 1.02E+07 1.58E+07 9.86E+06 1.40E+07 1.02E+07 6.80E+06 7.59E+06 9.35E+06 1.03E+07 1.04E+07 1.48E+07 1.58E+07 7.91E+06 6.86E+06 7.30E+06 8.67E+06 1.13E+07 1.18E+07 1.10E+07 1.14E+07 2.16E+07 1.91E+07 1.80E+07 2.13E+07 2.93E+07 3.45E+07 2.12E+07 2.44E+07 1.13E+07 Lithocholyltaurine 3.64E+07 3.24E+07 3.70E+07 3.37E+07 5.05E+07 3.59E+07 4.86E+07 3.86E+07 3.42E+07 3.36E+07 2.78E+07 4.29E+07 3.58E+07 3.08E+07 3.31E+07 3.03E+07 2.30E+07 2.67E+07 4.57E+07 3.69E+07 3.13E+07 3.01E+07 2.59E+07 3.46E+07 4.26E+07 3.49E+07 3.63E+07 2.21E+07 2.55E+07 2.37E+07 7.19E+07 7.70E+07 3.45E+07 Lumichrome 4.27E+07 1.41E+08 5.91E+07 6.01E+07 4.85E+07 5.43E+07 1.05E+08 4.64E+07 6.39E+07 7.79E+07 4.52E+07 1.11E+08 9.89E+07 7.83E+07 9.10E+07 1.97E+08 1.07E+08 8.16E+07 7.33E+07 7.35E+07 1.00E+08 5.65E+07 4.85E+07 7.29E+07 1.25E+08 9.10E+07 5.38E+07 1.14E+08 7.32E+07 5.39E+07 4.50E+07 7.81E+07 7.40E+07 Malate 4.83E+09 5.11E+09 7.01E+09 5.74E+09 4.15E+09 7.14E+09 6.46E+09 7.38E+09 8.44E+09 4.65E+09 4.45E+09 5.18E+09 5.44E+09 5.16E+09 7.30E+09 5.04E+09 6.06E+09 5.50E+09 3.82E+09 6.07E+09 4.62E+09 5.16E+09 5.61E+09 3.97E+09 5.94E+09 5.21E+09 6.47E+09 6.50E+09 5.40E+09 6.67E+09 3.96E+09 2.95E+09 6.01E+09 Malonate 1.82E+07 2.23E+07 3.35E+07 2.92E+07 1.68E+07 2.34E+07 1.62E+07 1.73E+07 2.58E+07 1.91E+07 1.52E+07 1.64E+07 1.74E+07 1.89E+07 1.94E+07 1.84E+07 2.19E+07 1.77E+07 1.51E+07 2.12E+07 1.46E+07 1.63E+07 1.35E+07 1.04E+07 2.14E+07 1.75E+07 1.50E+07 2.41E+07 2.24E+07 1.83E+07 1.19E+07 1.09E+07 2.26E+07 Methyglutarate 5.40E+06 4.92E+06 5.96E+06 4.90E+06 5.04E+06 6.07E+06 6.29E+06 8.22E+06 7.46E+06 5.44E+06 5.44E+06 6.01E+06 4.96E+06 7.69E+06 1.08E+07 6.64E+06 6.38E+06 8.71E+06 4.49E+06 6.90E+06 4.75E+06 8.91E+06 4.70E+06 6.05E+06 8.81E+06 4.26E+06 7.66E+06 6.92E+06 6.04E+06 7.37E+06 4.90E+06 6.25E+06 7.72E+06 Mevalonate 4.80E+06 6.01E+06 9.22E+06 5.68E+06 7.23E+06 8.97E+06 1.18E+07 1.06E+07 1.33E+07 7.84E+06 5.53E+06 7.87E+06 7.37E+06 7.02E+06 9.49E+06 6.25E+06 7.26E+06 6.87E+06 5.83E+06 7.40E+06 6.61E+06 6.70E+06 5.67E+06 4.68E+06 7.20E+06 7.08E+06 9.66E+06 6.29E+06 7.97E+06 8.36E+06 9.71E+06 7.48E+06 8.85E+06 Myoinositol 2.59E+08 2.67E+08 1.41E+09 9.48E+08 2.98E+08 6.90E+08 1.42E+09 1.27E+09 5.65E+08 3.14E+08 5.95E+08 9.24E+08 4.86E+08 4.20E+08 1.69E+09 1.06E+09 3.71E+08 3.74E+08 6.91E+08 9.70E+08 3.93E+08 4.26E+08 9.84E+08 8.26E+08 4.12E+08 2.78E+08 1.48E+09 1.36E+09 3.82E+08 5.48E+08 9.04E+08 6.87E+08 7.92E+08 N-Acetylalanine 2.68E+08 2.47E+08 2.03E+08 1.76E+08 2.19E+08 4.00E+08 1.99E+08 2.22E+08 4.62E+08 2.45E+08 1.35E+08 1.51E+08 2.94E+08 2.66E+08 2.14E+08 1.31E+08 3.00E+08 3.09E+08 9.98E+07 1.73E+08 2.38E+08 2.91E+08 1.61E+08 1.28E+08 3.08E+08 2.76E+08 1.98E+08 1.69E+08 2.39E+08 3.71E+08 1.07E+08 8.55E+07 2.57E+08 N-Acetylasparagine 1.75E+07 1.65E+07 6.38E+06 5.29E+06 1.35E+07 2.62E+07 4.98E+06 4.57E+06 1.87E+07 1.10E+07 3.38E+06 2.89E+06 1.32E+07 1.14E+07 3.70E+06 3.89E+06 1.04E+07 1.02E+07 2.48E+06 3.11E+06 1.07E+07 1.13E+07 3.06E+06 3.13E+06 9.99E+06 8.38E+06 2.34E+06 2.11E+06 1.33E+07 1.53E+07 2.39E+06 1.98E+06 5.35E+06 N-Acetylaspartate 9.04E+09 9.05E+09 1.30E+10 1.08E+10 7.47E+09 1.24E+10 9.58E+09 1.05E+10 1.46E+10 8.80E+09 8.22E+09 9.27E+09 9.38E+09 9.06E+09 1.12E+10 7.62E+09 1.08E+10 1.03E+10 7.22E+09 1.09E+10 7.92E+09 8.62E+09 8.24E+09 6.35E+09 1.16E+10 1.04E+10 1.24E+10 1.22E+10 9.13E+09 1.08E+10 6.70E+09 5.47E+09 1.04E+10 N-Acetylcysteine 4.87E+07 4.49E+07 2.02E+07 1.99E+07 6.07E+07 9.28E+07 2.68E+07 3.23E+07 1.30E+08 6.79E+07 1.44E+07 2.13E+07 7.09E+07 6.37E+07 2.68E+07 1.80E+07 7.16E+07 8.40E+07 9.85E+06 1.87E+07 5.30E+07 6.26E+07 1.08E+07 1.25E+07 8.28E+07 6.44E+07 2.27E+07 1.49E+07 6.60E+07 9.36E+07 1.41E+07 1.20E+07 3.80E+07 N-Acetylglycine 4.61E+06 5.48E+06 3.54E+06 5.51E+06 4.01E+06 4.84E+06 4.06E+06 3.16E+06 5.07E+06 4.47E+06 3.42E+06 2.98E+06 2.24E+06 4.93E+06 4.43E+06 4.86E+06 2.83E+06 4.16E+06 3.36E+06 2.66E+06 2.53E+06 2.77E+06 1.86E+06 3.01E+06 3.43E+06 2.38E+06 2.23E+06 3.40E+06 3.08E+06 1.57E+06 1.85E+06 1.46E+06 2.20E+06 N-Acetylhexosamine phosphate 6.15E+06 8.65E+06 4.66E+07 2.94E+07 5.52E+06 1.84E+07 4.81E+07 6.10E+07 2.71E+07 6.69E+06 1.31E+07 2.16E+07 9.22E+06 7.17E+06 5.64E+07 2.69E+07 9.92E+06 8.89E+06 1.34E+07 2.54E+07 6.19E+06 8.99E+06 3.82E+07 2.04E+07 1.34E+07 7.32E+06 4.00E+07 3.86E+07 1.23E+07 2.29E+07 3.04E+07 1.77E+07 2.48E+07 N-Acetylhexosamine sulfate 1.67E+06 1.65E+06 9.05E+05 4.94E+05 1.26E+06 1.17E+06 1.14E+06 1.40E+06 1.95E+06 1.90E+06 1.71E+06 1.67E+06 1.38E+06 1.86E+06 2.11E+06 2.17E+06 2.01E+06 1.81E+06 2.45E+06 2.03E+06 9.61E+05 1.26E+06 1.46E+06 1.59E+06 2.04E+06 1.85E+06 2.90E+06 2.03E+06 1.55E+06 1.04E+06 2.70E+06 2.17E+06 1.51E+06 N-Acetylleucine 1.60E+07 2.25E+07 1.58E+07 1.38E+07 1.62E+07 1.88E+07 1.85E+07 1.74E+07 2.43E+07 1.63E+07 1.21E+07 1.54E+07 2.01E+07 1.71E+07 2.00E+07 1.54E+07 1.78E+07 1.96E+07 1.17E+07 1.51E+07 1.55E+07 1.54E+07 1.40E+07 1.28E+07 1.71E+07 1.44E+07 1.60E+07 1.55E+07 1.83E+07 2.00E+07 9.89E+06 1.06E+07 1.82E+07 N-Acetylmethionine 8.16E+08 6.39E+08 3.50E+08 3.57E+08 5.85E+08 7.89E+08 3.83E+08 3.64E+08 1.04E+09 7.07E+08 2.75E+08 3.62E+08 7.04E+08 6.48E+08 4.04E+08 2.90E+08 7.77E+08 8.14E+08 2.19E+08 3.21E+08 5.89E+08 5.93E+08 2.92E+08 2.70E+08 6.79E+08 6.38E+08 3.35E+08 3.46E+08 5.87E+08 7.00E+08 1.92E+08 2.00E+08 5.46E+08 N-Acetylornithine 5.24E+06 5.77E+06 8.70E+06 5.89E+06 5.40E+06 1.14E+07 8.58E+06 8.51E+06 1.09E+07 5.40E+06 3.71E+06 5.51E+06 6.27E+06 5.48E+06 8.13E+06 4.87E+06 5.08E+06 4.72E+06 3.81E+06 4.77E+06 4.88E+06 5.68E+06 5.39E+06 3.72E+06 4.83E+06 3.61E+06 7.38E+06 5.81E+06 6.03E+06 7.78E+06 5.64E+06 3.61E+06 6.54E+06 N-Acetylphenylalanine 1.68E+07 1.94E+07 1.78E+07 1.55E+07 1.82E+07 1.73E+07 2.09E+07 1.89E+07 1.73E+07 1.53E+07 1.50E+07 1.68E+07 2.08E+07 1.77E+07 2.21E+07 1.90E+07 1.68E+07 1.80E+07 1.30E+07 1.66E+07 1.61E+07 1.42E+07 1.53E+07 1.64E+07 1.40E+07 1.22E+07 1.41E+07 1.65E+07 1.81E+07 1.79E+07 9.21E+06 1.36E+07 2.02E+07 N-Acetylserine 1.18E+09 1.27E+09 9.30E+08 7.65E+08 1.07E+09 1.90E+09 8.67E+08 8.93E+08 2.13E+09 1.18E+09 4.85E+08 6.72E+08 1.34E+09 1.17E+09 8.85E+08 5.84E+08 1.38E+09 1.36E+09 4.13E+08 6.61E+08 1.11E+09 1.24E+09 6.08E+08 4.60E+08 1.31E+09 1.07E+09 7.73E+08 7.61E+08 1.19E+09 1.51E+09 3.99E+08 3.35E+08 1.15E+09 N-Acetyltryptophan 2.56E+05 4.54E+05 5.26E+05 5.02E+05 7.45E+05 7.07E+05 1.10E+06 1.13E+06 9.70E+05 5.84E+05 6.68E+05 7.17E+05 7.24E+05 6.04E+05 6.99E+05 3.66E+05 2.09E+05 5.10E+05 5.59E+05 4.17E+05 4.73E+05 6.39E+05 5.29E+05 4.02E+05 5.40E+05 3.46E+05 5.66E+05 3.02E+05 3.67E+05 5.41E+05 1.20E+06 1.16E+06 5.91E+05 NADH 5.99E+05 9.13E+05 1.58E+06 1.09E+06 1.02E+06 1.95E+06 1.36E+07 1.70E+07 2.57E+07 9.35E+06 4.85E+06 5.62E+06 1.52E+07 9.92E+06 8.77E+06 3.92E+06 8.59E+06 9.17E+06 1.86E+06 3.94E+06 5.03E+06 6.99E+06 1.27E+06 7.04E+05 8.67E+05 1.55E+06 9.63E+05 1.16E+06 3.49E+06 1.50E+06 3.62E+05 3.33E+05 4.72E+06 N-Formylmethionine 1.87E+08 1.44E+08 1.69E+08 1.73E+08 2.01E+08 2.24E+08 3.43E+08 3.02E+08 3.29E+08 2.18E+08 1.76E+08 2.25E+08 2.15E+08 1.89E+08 2.39E+08 1.82E+08 1.77E+08 1.79E+08 1.68E+08 1.89E+08 1.63E+08 1.73E+08 1.58E+08 1.50E+08 1.82E+08 1.55E+08 2.29E+08 1.46E+08 1.78E+08 1.93E+08 2.43E+08 2.07E+08 1.90E+08 Nicotinamide hypoxanthine dinucleotide 1.54E+05 2.28E+05 5.49E+05 3.27E+05 2.21E+05 5.93E+05 3.63E+05 5.19E+05 4.02E+05 2.18E+05 3.11E+05 2.66E+05 2.53E+05 2.99E+05 5.17E+05 2.47E+05 2.29E+05 3.01E+05 7.97E+04 2.34E+05 1.83E+05 3.05E+05 2.09E+05 1.83E+05 2.32E+05 2.79E+05 3.08E+05 2.84E+05 2.64E+05 5.14E+05 5.71E+04 1.06E+05 3.66E+05 N-Undecanoylglycine 1.48E+08 2.73E+08 1.81E+08 1.67E+08 2.31E+08 1.07E+08 1.77E+08 1.06E+08 1.39E+08 1.56E+08 1.93E+08 1.53E+08 1.18E+08 2.04E+08 2.23E+08 1.66E+08 9.93E+07 1.54E+08 1.60E+08 3.02E+08 1.18E+08 9.01E+07 1.15E+08 9.08E+07 1.46E+08 1.25E+08 9.60E+07 2.15E+08 3.13E+08 9.22E+07 9.86E+07 1.85E+08 1.43E+08 Ophthalmate 4.68E+06 5.29E+06 1.81E+07 1.22E+07 5.65E+06 1.32E+07 1.62E+07 1.99E+07 1.12E+07 3.92E+06 4.83E+06 8.65E+06 7.07E+06 5.89E+06 2.07E+07 9.88E+06 5.96E+06 5.95E+06 5.01E+06 1.19E+07 4.46E+06 6.64E+06 1.48E+07 7.73E+06 6.17E+06 3.50E+06 1.63E+07 1.34E+07 5.89E+06 1.05E+07 8.69E+06 4.78E+06 1.19E+07 Orotate 2.90E+06 3.90E+06 3.73E+06 3.02E+06 3.25E+06 5.22E+06 3.55E+06 5.38E+06 3.61E+06 2.22E+06 1.51E+06 2.26E+06 2.92E+06 2.09E+06 3.95E+06 2.39E+06 2.60E+06 2.48E+06 1.66E+06 2.07E+06 2.31E+06 2.47E+06 2.09E+06 1.89E+06 1.04E+07 6.85E+06 4.36E+06 3.72E+06 6.73E+06 8.43E+06 3.39E+06 2.84E+06 2.98E+06 Oxalate 1.19E+07 1.28E+07 2.04E+07 1.49E+07 8.50E+06 9.36E+06 1.19E+07 1.06E+07 7.37E+06 6.78E+06 7.46E+06 7.30E+06 5.19E+06 6.68E+06 7.71E+06 7.01E+06 5.70E+06 4.46E+06 6.71E+06 8.80E+06 4.34E+06 3.71E+06 5.00E+06 4.81E+06 5.38E+06 5.27E+06 7.29E+06 7.89E+06 5.57E+06 3.41E+06 5.72E+06 5.43E+06 5.76E+06 Oxoadipate 4.99E+06 6.44E+06 5.07E+06 3.51E+06 7.93E+05 5.54E+05 1.96E+06 1.90E+06 6.12E+06 5.15E+06 3.37E+06 3.25E+06 7.63E+05 1.05E+06 1.88E+06 1.27E+06 5.63E+06 3.99E+06 3.57E+06 3.60E+06 5.64E+05 7.68E+05 1.12E+06 1.19E+06 3.86E+06 3.98E+06 4.38E+06 4.33E+06 8.59E+05 7.71E+04 1.99E+06 2.12E+06 1.58E+06 Oxohexanoic acid 4.28E+10 4.09E+10 2.78E+10 2.69E+10 5.30E+10 4.52E+10 3.75E+10 3.33E+10 5.09E+10 4.28E+10 2.54E+10 3.05E+10 4.36E+10 4.00E+10 3.19E+10 2.51E+10 3.99E+10 4.07E+10 2.59E+10 2.55E+10 3.73E+10 3.95E+10 2.58E+10 2.82E+10 3.95E+10 4.21E+10 2.78E+10 2.07E+10 3.63E+10 3.91E+10 3.77E+10 3.68E+10 3.28E+10 Oxoproline 7.02E+09 7.50E+09 8.42E+09 6.78E+09 6.41E+09 1.02E+10 9.95E+09 9.11E+09 1.14E+10 6.95E+09 4.96E+09 6.06E+09 7.41E+09 6.68E+09 8.01E+09 5.43E+09 7.01E+09 6.67E+09 4.28E+09 5.65E+09 5.78E+09 6.39E+09 5.33E+09 4.05E+09 6.28E+09 5.37E+09 7.11E+09 5.89E+09 6.85E+09 8.37E+09 5.91E+09 4.38E+09 7.35E+09 P-DMEA 6.58E+08 7.54E+08 8.97E+08 6.26E+08 2.16E+08 4.71E+08 3.76E+08 4.18E+08 1.49E+09 6.48E+08 3.94E+08 5.81E+08 3.42E+08 2.90E+08 4.78E+08 2.45E+08 8.58E+08 8.11E+08 4.78E+08 8.40E+08 2.26E+08 2.32E+08 3.66E+08 2.35E+08 9.10E+08 6.53E+08 7.60E+08 6.67E+08 2.02E+08 3.00E+08 2.07E+08 1.24E+08 6.48E+08 Pentoses 6.04E+06 4.81E+06 1.30E+07 1.06E+07 6.39E+06 9.77E+06 1.27E+07 1.14E+07 9.76E+06 6.93E+06 6.93E+06 1.05E+07 7.96E+06 7.98E+06 1.23E+07 9.27E+06 6.84E+06 6.02E+06 6.39E+06 8.38E+06 3.80E+06 5.28E+06 6.08E+06 7.02E+06 4.33E+06 3.43E+06 8.07E+06 1.03E+07 4.74E+06 5.61E+06 7.03E+06 7.48E+06 6.46E+06 Phenylpyruvate 1.65E+07 1.45E+07 1.37E+07 1.25E+07 2.03E+07 1.45E+07 1.46E+07 1.35E+07 1.88E+07 2.09E+07 1.21E+07 1.43E+07 1.78E+07 1.67E+07 1.42E+07 1.14E+07 1.78E+07 1.81E+07 1.21E+07 1.30E+07 1.42E+07 1.49E+07 6.60E+06 1.06E+07 1.80E+07 1.68E+07 1.13E+07 7.41E+06 1.25E+07 1.20E+07 1.95E+07 1.88E+07 1.35E+07 Phosphoenolpyruvate 6.89E+06 8.49E+06 1.57E+07 1.03E+07 8.76E+06 1.89E+07 1.90E+07 2.93E+07 2.69E+07 6.13E+06 3.07E+06 5.03E+06 6.98E+06 5.42E+06 1.26E+07 4.09E+06 6.51E+06 6.45E+06 2.34E+06 4.51E+06 5.71E+06 8.14E+06 5.01E+06 2.57E+06 7.79E+06 5.53E+06 5.19E+06 5.75E+06 6.91E+06 7.85E+06 3.25E+06 1.74E+06 9.13E+06 PI (32:0) 3.27E+07 2.37E+07 1.11E+07 9.50E+06 2.09E+07 8.70E+06 1.40E+07 2.75E+06 8.39E+06 3.01E+07 1.16E+07 1.76E+07 1.61E+07 2.27E+07 1.14E+07 1.47E+07 2.56E+07 2.90E+07 2.24E+07 2.09E+07 1.95E+07 1.25E+07 6.28E+06 1.37E+07 3.56E+07 3.63E+07 1.22E+07 2.42E+07 2.18E+07 2.04E+07 1.29E+07 1.86E+07 1.52E+07 PS (34:2) 1.18E+08 8.69E+07 8.50E+07 8.18E+07 7.31E+07 6.13E+07 6.55E+07 4.07E+07 6.35E+07 9.29E+07 7.16E+07 7.80E+07 8.26E+07 7.92E+07 6.35E+07 4.86E+07 8.78E+07 9.49E+07 8.90E+07 8.25E+07 8.48E+07 6.78E+07 4.77E+07 6.23E+07 1.28E+08 1.45E+08 9.06E+07 9.63E+07 9.49E+07 9.58E+07 5.14E+07 7.08E+07 5.74E+07 PS (36:1) 2.03E+08 9.96E+07 1.10E+08 1.03E+08 1.09E+08 8.29E+07 1.71E+08 8.87E+07 7.84E+07 1.55E+08 1.04E+08 1.24E+08 1.49E+08 1.07E+08 1.56E+08 1.16E+08 1.47E+08 1.40E+08 1.44E+08 1.35E+08 8.59E+07 8.53E+07 8.71E+07 1.16E+08 1.62E+08 1.74E+08 1.10E+08 9.98E+07 1.06E+08 1.07E+08 7.75E+07 9.92E+07 8.44E+07 PS (36:4) 2.13E+07 1.30E+07 8.18E+06 1.06E+07 1.30E+07 9.83E+06 1.10E+07 6.05E+06 1.10E+07 1.74E+07 1.03E+07 1.28E+07 1.70E+07 1.64E+07 1.12E+07 7.88E+06 1.63E+07 1.69E+07 1.51E+07 1.34E+07 1.40E+07 1.04E+07 7.74E+06 1.00E+07 2.26E+07 2.50E+07 1.37E+07 1.31E+07 1.62E+07 1.68E+07 8.47E+06 1.18E+07 7.85E+06 PS (38:3) 6.23E+07 3.32E+07 3.61E+07 3.41E+07 3.45E+07 2.68E+07 6.13E+07 3.04E+07 2.29E+07 4.65E+07 4.02E+07 4.66E+07 4.60E+07 4.04E+07 5.19E+07 4.17E+07 4.15E+07 4.11E+07 4.92E+07 4.39E+07 3.27E+07 2.53E+07 3.00E+07 3.75E+07 4.08E+07 4.76E+07 3.57E+07 3.70E+07 3.12E+07 2.94E+07 2.33E+07 3.06E+07 2.89E+07 PS (38:5) 9.92E+07 6.58E+07 6.15E+07 5.90E+07 5.13E+07 4.64E+07 5.74E+07 3.12E+07 5.13E+07 8.11E+07 6.13E+07 6.59E+07 7.15E+07 6.38E+07 5.38E+07 4.29E+07 7.30E+07 7.16E+07 7.41E+07 7.09E+07 5.68E+07 4.46E+07 3.98E+07 4.37E+07 9.13E+07 9.88E+07 6.66E+07 6.97E+07 5.88E+07 6.21E+07 3.99E+07 4.77E+07 4.33E+07 PS (38:6) 2.68E+07 1.68E+07 1.51E+07 1.70E+07 1.64E+07 1.29E+07 1.52E+07 7.19E+06 1.68E+07 2.37E+07 1.60E+07 2.00E+07 2.22E+07 1.98E+07 1.37E+07 1.22E+07 2.15E+07 2.35E+07 1.98E+07 1.83E+07 1.79E+07 1.41E+07 1.01E+07 1.27E+07 2.74E+07 3.05E+07 1.71E+07 1.98E+07 1.76E+07 1.89E+07 9.68E+06 1.31E+07 1.29E+07 PS (40:5) 5.07E+08 2.93E+08 3.17E+08 2.95E+08 2.21E+08 1.69E+08 4.56E+08 2.05E+08 1.89E+08 3.97E+08 3.39E+08 3.96E+08 3.38E+08 2.85E+08 3.74E+08 2.98E+08 3.35E+08 3.12E+08 4.29E+08 3.82E+08 2.12E+08 1.64E+08 2.08E+08 2.54E+08 2.89E+08 3.10E+08 2.80E+08 2.97E+08 2.00E+08 1.79E+08 1.54E+08 1.92E+08 2.20E+08 PS (40:6) 4.53E+08 3.05E+08 3.20E+08 3.12E+08 2.29E+08 1.83E+08 3.81E+08 1.96E+08 2.08E+08 3.74E+08 3.38E+08 3.82E+08 3.09E+08 2.84E+08 3.40E+08 2.63E+08 3.21E+08 3.14E+08 4.04E+08 3.84E+08 2.37E+08 1.79E+08 2.06E+08 2.43E+08 3.36E+08 3.72E+08 3.07E+08 3.37E+08 2.31E+08 2.10E+08 1.56E+08 2.08E+08 2.23E+08 PS (40:7) 8.51E+07 5.99E+07 7.12E+07 6.90E+07 6.78E+07 4.66E+07 7.49E+07 4.87E+07 5.22E+07 7.64E+07 7.62E+07 8.00E+07 7.51E+07 7.36E+07 7.25E+07 6.07E+07 6.71E+07 7.08E+07 7.79E+07 7.50E+07 5.91E+07 4.65E+07 4.83E+07 5.61E+07 8.37E+07 9.10E+07 7.34E+07 8.26E+07 6.15E+07 5.50E+07 4.08E+07 5.67E+07 5.20E+07 Psicose 1.01E+08 1.12E+08 9.90E+07 7.76E+07 1.01E+08 1.75E+08 1.25E+08 1.35E+08 2.13E+08 1.04E+08 5.92E+07 6.98E+07 1.22E+08 9.74E+07 1.06E+08 7.28E+07 1.08E+08 1.06E+08 4.90E+07 6.67E+07 1.12E+08 1.30E+08 7.80E+07 5.83E+07 1.03E+08 9.46E+07 1.00E+08 8.04E+07 1.60E+08 1.87E+08 1.05E+08 7.02E+07 1.22E+08 Pyruvate 2.63E+08 3.05E+08 1.83E+09 1.57E+09 2.67E+08 3.87E+08 1.69E+09 1.69E+09 3.63E+08 2.54E+08 1.28E+09 1.58E+09 3.24E+08 2.88E+08 1.57E+09 1.06E+09 2.93E+08 3.05E+08 1.11E+09 1.60E+09 2.19E+08 2.40E+08 1.19E+09 1.05E+09 2.63E+08 2.31E+08 1.82E+09 1.55E+09 2.78E+08 2.73E+08 1.10E+09 8.83E+08 7.70E+08 Quinolinate 2.88E+05 2.54E+05 8.57E+05 8.14E+05 N/F N/F N/F N/F 9.07E+05 3.93E+05 4.97E+05 6.37E+05 N/F N/F N/F N/F 9.71E+04 3.87E+05 6.17E+05 4.37E+05 N/F N/F N/F N/F 3.16E+05 5.61E+05 1.04E+06 3.09E+05 N/F N/F N/F N/F N/F Ribitol 2.48E+07 3.86E+07 3.13E+07 2.47E+07 2.99E+07 4.85E+07 3.83E+07 4.08E+07 4.92E+07 2.97E+07 2.00E+07 2.69E+07 3.56E+07 3.35E+07 4.39E+07 2.71E+07 3.35E+07 3.17E+07 1.75E+07 2.41E+07 3.32E+07 3.70E+07 2.87E+07 2.07E+07 3.04E+07 2.73E+07 3.33E+07 2.69E+07 4.57E+07 5.44E+07 2.69E+07 2.03E+07 3.52E+07 Riboflavin 4.40E+06 5.68E+06 6.61E+06 7.43E+06 9.84E+06 8.28E+06 1.03E+07 9.31E+06 8.26E+06 4.63E+06 6.10E+06 8.11E+06 7.35E+06 6.83E+06 7.95E+06 6.69E+06 5.61E+06 5.77E+06 5.22E+06 6.42E+06 6.69E+06 6.67E+06 6.23E+06 7.09E+06 5.81E+06 4.50E+06 6.56E+06 4.28E+06 6.34E+06 6.12E+06 1.11E+07 1.08E+07 5.39E+06 Ribulose/Ribose/Xylulose 5-phosphate 2.57E+07 3.11E+07 3.32E+07 2.60E+07 2.00E+07 5.42E+07 2.35E+07 2.95E+07 7.33E+07 2.49E+07 1.06E+07 1.79E+07 2.70E+07 2.39E+07 2.66E+07 1.01E+07 3.26E+07 3.08E+07 8.63E+06 1.80E+07 2.24E+07 2.72E+07 1.48E+07 7.28E+06 3.15E+07 1.92E+07 2.51E+07 2.51E+07 2.87E+07 4.43E+07 1.35E+07 7.06E+06 3.43E+07 Saccharopine 2.45E+07 2.93E+07 2.12E+07 1.36E+07 3.23E+06 7.15E+06 5.49E+06 5.81E+06 7.11E+07 2.47E+07 6.32E+06 1.16E+07 4.15E+06 4.02E+06 5.63E+06 2.96E+06 3.24E+07 3.20E+07 6.99E+06 1.26E+07 3.34E+06 4.49E+06 3.75E+06 1.97E+06 4.99E+07 3.26E+07 2.94E+07 2.86E+07 5.31E+06 7.66E+06 2.54E+06 1.39E+06 1.93E+07 Salicylamide 7.38E+05 1.25E+05 1.94E+06 1.14E+06 2.28E+06 1.16E+06 7.37E+05 1.03E+06 1.46E+06 9.89E+05 1.52E+06 2.28E+06 9.83E+05 2.36E+06 2.90E+06 3.98E+06 1.74E+06 1.52E+06 9.53E+05 2.02E+06 3.41E+06 3.40E+06 1.45E+06 2.12E+06 1.97E+06 9.77E+05 1.68E+06 1.93E+06 1.84E+06 1.66E+06 2.08E+06 1.89E+06 1.25E+06 Salicylate 2.76E+07 3.69E+07 4.20E+07 2.98E+07 4.37E+07 2.68E+07 3.22E+07 2.32E+07 2.17E+07 3.05E+07 2.86E+07 2.90E+07 2.11E+07 2.82E+07 3.85E+07 3.31E+07 3.23E+07 3.48E+07 2.80E+07 3.55E+07 3.13E+07 2.70E+07 2.19E+07 2.42E+07 4.62E+07 4.81E+07 2.57E+07 3.30E+07 3.72E+07 2.46E+07 3.82E+07 3.65E+07 7.74E+07 Sedoheptulose 7-phosphate 3.59E+07 4.60E+07 3.08E+07 2.44E+07 3.07E+07 6.53E+07 2.90E+07 3.71E+07 1.20E+08 3.61E+07 1.09E+07 1.62E+07 3.98E+07 3.46E+07 3.60E+07 1.75E+07 5.78E+07 5.20E+07 9.58E+06 2.04E+07 3.39E+07 4.09E+07 2.29E+07 1.18E+07 5.91E+07 4.56E+07 2.63E+07 2.48E+07 4.83E+07 6.94E+07 1.77E+07 9.56E+06 4.53E+07 Suberate 6.24E+06 1.18E+07 1.33E+07 9.08E+06 6.98E+06 6.04E+06 6.06E+06 6.96E+06 1.22E+07 7.87E+06 7.69E+06 8.06E+06 5.84E+06 8.02E+06 1.18E+07 1.22E+07 9.38E+06 7.79E+06 8.49E+06 1.17E+07 7.77E+06 5.12E+06 6.00E+06 6.19E+06 8.06E+06 7.45E+06 9.49E+06 2.10E+07 1.41E+07 5.13E+06 5.89E+06 6.39E+06 8.62E+06 Succinate 3.07E+08 3.72E+08 3.74E+08 2.87E+08 1.85E+08 3.10E+08 2.61E+08 2.69E+08 6.08E+08 2.82E+08 1.89E+08 2.43E+08 2.06E+08 1.94E+08 2.45E+08 1.57E+08 3.40E+08 3.07E+08 1.88E+08 2.68E+08 1.69E+08 1.92E+08 1.72E+08 1.20E+08 3.30E+08 2.74E+08 3.22E+08 2.52E+08 1.63E+08 1.95E+08 1.96E+08 1.30E+08 2.69E+08 Sulfolactate 5.92E+06 2.82E+07 1.04E+07 8.06E+06 1.01E+07 9.18E+06 6.95E+06 9.74E+06 1.15E+07 8.94E+06 5.06E+06 6.19E+06 6.52E+06 6.95E+06 2.52E+07 8.85E+06 9.47E+06 9.16E+06 5.15E+06 7.65E+06 1.03E+07 1.06E+07 5.85E+06 4.10E+06 1.26E+07 1.02E+07 8.25E+06 1.15E+07 2.46E+07 1.94E+07 5.58E+06 7.12E+06 1.64E+07 Tartrate 2.21E+06 4.20E+06 6.97E+06 5.07E+06 2.42E+06 9.02E+06 2.95E+06 3.62E+06 3.34E+06 2.64E+06 2.34E+06 3.31E+06 2.83E+06 2.79E+06 2.26E+06 1.76E+06 4.56E+06 2.20E+06 2.73E+06 6.73E+06 1.95E+06 1.78E+06 1.61E+06 7.91E+05 5.55E+06 1.88E+06 3.38E+06 5.33E+06 2.36E+06 2.31E+06 2.09E+06 1.50E+06 4.96E+06 Thioproline 2.92E+07 2.94E+07 2.07E+07 1.45E+07 2.43E+07 3.62E+07 3.20E+07 2.71E+07 5.53E+07 3.22E+07 1.49E+07 2.49E+07 4.20E+07 3.40E+07 3.31E+07 1.99E+07 3.47E+07 3.57E+07 1.34E+07 1.91E+07 3.02E+07 2.63E+07 9.28E+06 1.48E+07 3.41E+07 2.47E+07 1.97E+07 1.56E+07 3.20E+07 3.31E+07 1.65E+07 1.07E+07 2.43E+07 Threonate 8.25E+08 1.08E+09 9.97E+08 7.55E+08 9.62E+08 1.87E+09 1.05E+09 1.16E+09 2.01E+09 9.96E+08 4.82E+08 6.30E+08 1.23E+09 1.13E+09 1.11E+09 6.40E+08 1.24E+09 1.21E+09 3.60E+08 6.46E+08 1.08E+09 1.27E+09 7.22E+08 4.57E+08 1.07E+09 9.58E+08 8.71E+08 8.16E+08 1.32E+09 1.74E+09 5.23E+08 3.58E+08 1.20E+09 Thymidine monophosphate 5.79E+05 1.01E+06 3.05E+05 1.35E+05 8.36E+05 2.72E+06 2.22E+05 5.40E+05 3.04E+06 7.09E+05 1.15E+05 1.16E+05 1.25E+06 9.14E+05 4.46E+05 6.58E+04 1.16E+06 9.74E+05 3.41E+04 7.43E+04 7.54E+05 1.15E+06 1.63E+05 8.20E+04 9.00E+05 6.30E+05 1.79E+05 6.40E+04 1.08E+06 1.79E+06 4.41E+04 5.13E+04 1.13E+06 Thymidine triphosphate 1.88E+06 2.51E+06 4.63E+05 4.06E+05 2.23E+06 6.42E+06 3.47E+05 6.06E+05 6.37E+06 1.27E+06 8.36E+04 1.47E+05 1.82E+06 1.51E+06 3.18E+05 9.44E+04 1.76E+06 1.83E+06 4.64E+04 1.46E+05 1.25E+06 1.70E+06 1.55E+05 6.20E+04 2.51E+06 1.51E+06 2.88E+05 1.92E+05 1.79E+06 3.51E+06 1.23E+05 7.32E+04 1.52E+06 Thymine 3.09E+05 1.00E+06 5.36E+05 5.41E+05 4.65E+05 8.77E+05 3.12E+05 1.54E+05 1.30E+06 1.05E+06 4.60E+05 5.65E+05 6.17E+05 5.55E+05 7.10E+05 5.90E+05 1.17E+06 6.70E+05 6.01E+05 2.93E+05 1.08E+06 4.91E+05 4.05E+05 3.89E+05 9.67E+05 1.20E+06 5.38E+05 7.22E+05 8.20E+05 6.07E+05 5.52E+05 8.64E+05 1.04E+06 trans-Aconitate 4.00E+08 4.70E+08 2.07E+08 1.36E+08 4.45E+08 8.36E+08 3.01E+08 3.58E+08 8.04E+08 3.41E+08 4.21E+07 7.01E+07 5.40E+08 4.76E+08 3.16E+08 1.31E+08 4.60E+08 4.39E+08 3.36E+07 6.67E+07 4.01E+08 4.82E+08 1.73E+08 8.87E+07 3.85E+08 2.89E+08 1.05E+08 7.76E+07 4.44E+08 6.29E+08 1.41E+08 7.36E+07 4.67E+08 UDP-glucose 4.14E+08 5.72E+08 1.36E+08 1.02E+08 4.60E+08 1.04E+09 1.31E+08 1.89E+08 1.25E+09 3.91E+08 5.01E+07 7.71E+07 5.82E+08 4.93E+08 1.71E+08 8.35E+07 6.18E+08 5.96E+08 4.52E+07 9.09E+07 4.44E+08 5.84E+08 1.06E+08 6.00E+07 7.01E+08 4.68E+08 1.24E+08 1.16E+08 5.91E+08 8.97E+08 7.65E+07 4.83E+07 4.27E+08 UDP-N-acetylglucosamine 1.10E+09 1.34E+09 2.34E+09 1.95E+09 1.01E+09 2.18E+09 2.61E+09 3.27E+09 2.76E+09 1.02E+09 9.43E+08 1.41E+09 1.32E+09 1.10E+09 3.19E+09 1.82E+09 1.50E+09 1.46E+09 6.91E+08 1.46E+09 1.04E+09 1.31E+09 2.15E+09 1.34E+09 1.68E+09 1.15E+09 1.91E+09 1.96E+09 1.39E+09 2.00E+09 1.68E+09 1.23E+09 1.85E+09 Uracil 1.84E+07 1.93E+07 1.73E+07 1.66E+07 1.90E+07 1.39E+07 2.61E+07 1.92E+07 2.32E+07 2.21E+07 1.56E+07 2.43E+07 2.29E+07 1.94E+07 2.17E+07 2.09E+07 2.21E+07 2.07E+07 2.19E+07 2.35E+07 2.01E+07 1.84E+07 1.46E+07 2.17E+07 2.33E+07 2.25E+07 2.43E+07 1.87E+07 1.78E+07 1.77E+07 1.82E+07 2.30E+07 2.06E+07 Urate 3.65E+07 4.20E+07 5.83E+07 5.52E+07 3.25E+07 4.56E+07 6.60E+07 5.51E+07 7.20E+07 5.32E+07 5.01E+07 5.19E+07 3.97E+07 3.96E+07 5.05E+07 3.97E+07 5.22E+07 4.46E+07 3.78E+07 4.70E+07 3.44E+07 3.80E+07 3.32E+07 3.00E+07 4.55E+07 4.14E+07 5.46E+07 4.56E+07 4.09E+07 4.28E+07 5.68E+07 4.55E+07 4.32E+07 Ureidosuccinate 3.49E+07 3.10E+07 5.66E+09 4.51E+09 3.16E+07 3.73E+07 4.22E+09 4.79E+09 5.24E+07 3.48E+07 3.56E+09 4.04E+09 4.49E+07 4.11E+07 5.18E+09 3.45E+09 4.48E+07 3.83E+07 3.04E+09 4.66E+09 3.79E+07 3.87E+07 3.79E+09 2.86E+09 3.50E+07 3.35E+07 5.46E+09 5.54E+09 4.23E+07 4.74E+07 2.74E+09 2.30E+09 2.85E+09 Uridine 9.46E+05 1.15E+06 6.54E+05 7.79E+05 1.50E+06 1.44E+06 7.74E+05 7.00E+05 1.34E+06 1.31E+06 5.73E+05 5.98E+05 1.39E+06 1.44E+06 8.14E+05 8.46E+05 1.17E+06 1.50E+06 7.87E+05 7.44E+05 1.10E+06 1.09E+06 6.64E+05 7.03E+05 2.09E+06 1.76E+06 7.02E+05 8.99E+05 1.74E+06 1.51E+06 4.87E+05 1.04E+06 1.10E+06 Uridine diphosphate 1.49E+07 2.04E+07 2.97E+06 2.03E+06 1.92E+07 4.65E+07 2.87E+06 4.31E+06 7.68E+07 2.10E+07 1.48E+06 1.73E+06 3.20E+07 3.01E+07 3.63E+06 1.73E+06 3.39E+07 3.46E+07 1.40E+06 1.90E+06 2.45E+07 2.79E+07 2.14E+06 1.18E+06 4.40E+07 2.96E+07 2.92E+06 3.02E+06 2.91E+07 4.78E+07 2.00E+06 1.35E+06 1.65E+07 Uridine monophosphate 1.04E+07 1.50E+07 6.56E+06 4.99E+06 1.36E+07 2.99E+07 6.44E+06 9.15E+06 3.82E+07 1.46E+07 3.43E+06 4.49E+06 1.96E+07 1.84E+07 9.24E+06 5.12E+06 2.28E+07 2.08E+07 2.89E+06 4.96E+06 1.58E+07 1.97E+07 6.86E+06 3.85E+06 2.31E+07 1.78E+07 7.23E+06 6.75E+06 2.19E+07 3.09E+07 4.64E+06 3.72E+06 1.83E+07 Uridine triphosphate 8.65E+07 1.13E+08 7.35E+06 6.10E+06 9.73E+07 2.70E+08 6.24E+06 9.29E+06 2.45E+08 5.23E+07 2.19E+06 2.70E+06 7.81E+07 6.46E+07 6.12E+06 2.65E+06 7.32E+07 7.93E+07 2.04E+06 2.68E+06 5.39E+07 7.00E+07 3.09E+06 1.76E+06 1.30E+08 7.65E+07 4.88E+06 4.12E+06 7.72E+07 1.44E+08 4.02E+06 2.48E+06 5.83E+07 Valine 1.94E+09 2.06E+09 3.52E+09 2.75E+09 2.28E+09 3.68E+09 4.16E+09 3.82E+09 3.62E+09 2.22E+09 2.02E+09 2.79E+09 2.70E+09 2.37E+09 3.79E+09 2.53E+09 2.08E+09 2.05E+09 1.88E+09 2.44E+09 2.13E+09 2.27E+09 2.35E+09 2.01E+09 2.10E+09 1.63E+09 3.26E+09 2.69E+09 2.31E+09 2.82E+09 2.59E+09 2.03E+09 2.84E+09 Xanthine 1.37E+08 1.58E+08 2.43E+08 1.87E+08 1.97E+08 2.27E+08 2.73E+08 2.17E+08 2.08E+08 1.44E+08 1.20E+08 1.50E+08 1.43E+08 1.37E+08 1.72E+08 1.20E+08 1.21E+08 1.26E+08 1.08E+08 1.30E+08 1.16E+08 1.20E+08 1.10E+08 1.20E+08 1.33E+08 1.23E+08 1.38E+08 1.11E+08 1.16E+08 1.34E+08 1.45E+08 1.53E+08 1.26E+08 Xanthosine N/F 5.62E+05 6.06E+05 2.22E+05 3.67E+05 1.16E+06 8.62E+05 7.47E+05 1.48E+06 6.25E+05 6.34E+04 4.40E+05 3.09E+05 3.95E+05 3.81E+05 6.24E+04 8.01E+05 6.21E+05 8.01E+04 1.50E+05 3.25E+05 6.46E+05 4.94E+05 2.25E+05 1.37E+05 3.02E+05 3.77E+05 2.85E+05 6.70E+05 9.14E+05 6.21E+05 1.84E+05 5.54E+05 Xanthosine monophosphate 8.29E+04 2.10E+05 N/F N/F 1.71E+05 8.74E+05 9.23E+04 2.74E+05 9.62E+05 1.44E+05 2.79E+04 5.21E+04 5.05E+05 3.79E+05 1.67E+05 2.18E+04 3.03E+05 2.96E+05 2.20E+04 2.46E+04 2.30E+05 4.24E+05 7.52E+04 3.99E+04 3.93E+05 1.92E+05 N/F 1.22E+05 4.16E+05 6.87E+05 N/F 6.66E+04 3.34E+05 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG Retention time M/z Formula 1-Hydroxy-2-naphthoate C03203 2.5 187.040045 C11H8O3 2',4'-Dihydroxyacetophenone C03663 1.8 151.0400441 C8H8O3 2-/3-Phosphoglycerate C00597/C00631  9.9 184.9856391 C3H7O7P 2-Hydroxy-4-(methylthio)butanoate 3.5 149.0277649 C5H10O3S 2-Hydroxybutyrate C05984 4.5 103.0400441 C4H8O3 2-Hydroxyglutarate C01087 9.0 147.0298734 C5H8O5 2-Hydroxyphenylacetate C05852  3.7 151.0400441 C8H8O3 2-Mannosyl-3-phosphoglycerate C16699 8.7 347.0384625 C9H17O12P 3-(2-Hydroxyphenyl)propanoate C01198 3.0 165.0556942 C9H10O3 3-(4-Hydroxyphenyl)pyruvate C01179 4.7 179.0349587 C9H8O4 3-Dehydroshikimate C02637 6.9 171.0298734 C7H8O5 3-Hydroxybutyrate C01089 5.7 103.0400441 C4H8O3 3-Hydroxymethylglutarate C03761 8.3 161.0455234 C6H10O5 3-Methyl-2-oxindole 7.3 146.061114 C9H9NO 3-Methyl-2-oxovalerate C03465 2.7 129.0556942 C6H10O3 3-Sulfinoalanine C00606 8.0 152.0022784 C3H7NO4S 4-Pyridoxate C00847 2.5 182.0458578 C8H9NO4 6-Carboxyhexanoate C02656 7.9 159.06626 C7H12O4 6-Phosphogluconate C00345 10.4 275.0173331 C6H13O10P Acetoin C00466 8.6 87.04513 C4H8O2 Acetylacrylate C07091 7.0 113.0243941 C5H6O3 Adenosine diphosphate C00008 8.9 426.0221147 C10H15N5O10P2 Adenosine diphosphate ribose C00301 8.6 558.0643735 C15H23N5O14P2 Adipate C06104  8.3 145.0506088 C6H10O4 Ala-Leu 4.3 201.1244424 C9H18N2O3 Allantoin C01551 6.3 157.0366901 C4H6N4O3 alpha-Ketoglutarate C00026 9.2 145.0142233 C5H6O5 Aniline-2-sulfonate C06333 4.5 172.007366 C6H7NO3S Aspartate C16433 8.2 132.0302077 C4H7NO4 Azelate C08261 7.0 187.097559 C9H16O4 cadaverine CDP-ethanolamine C00570 8.8 445.0530805 C11H20N4O11P2 Citrate/Isocitrate C00158/C00311 11.0 191.0197026 C6H8O7 Cyclic ADP-ribose C13050 8.2 540.0538 C15H21N5O13P2 Cytidine C00475 5.5 244.0928205 C9H13N3O5 Decanoate C01571 2.0 171.1390299 C10H20O2 Deoxyadenosine triphosphate C00131 9.2 489.9935305 C10H16N5O12P3 Deoxycytidine diphosphate C00705 9.5 386.0159667 C9H15N3O10P2 Deoxycytidine monophosphate C00239 8.4 306.0496363 C9H14N3O7P Deoxycytidine triphosphate Deoxyguanosine diphosphate C00361 9.9 426.0221147 C10H15N5O10P2 Deoxyinosine C05512 4.6 251.0785549 C10H12N4O4 Deoxyinosine diphosphate Deoxypentose monophosphates C16637 8.0 213.0169392 C5H11O7P Deoxyribose C01801 5.2 133.0506088 C5H10O4 Deoxyuridine C00526 3.3 227.0673215 C9H12N2O5 Deoxyuridine diphosphate Deoxyuridine monophosphate C00365 7.9 307.0336519 C9H13N2O8P Deoxyuridine triphosphate C00460 9.9 466.9663127 C9H15N2O14P3 Dihydroorotate C00337 6.6 157.0254567 C5H6N2O4 Dihydroxyacetone phosphate C00111 9.0 168.9907245 C3H7O6P dTDP-glucose C00842 8.4 563.0684558 C16H26N2O16P2 Erythritol C00503 5.2 121.0506088 C4H10O4 Ethylmalonate 6.9 131.0349587 C5H8O4 FA (12:0) C02679 1.3 199.17033 C12H24O2 FA (14:0) C06424 1.6 227.2016 C14H28O2 FA (16:0) C00249 1.6 255.2329 C16H32O2 FA (16:1) C08362 1.7 253.2172802 C16H30O2 FA (18:0) C01530 1.3 283.2642304 C18H36O2 FA (18:1) C00712 1.3 281.2486 C18H34O2 FA (20:0) C06425 1.3 311.2955305 C20H40O2 FA (20:2) C16525 1.3 307.2642304 C20H36O2 FA (8:0) C06423 1.2 143.1077298 C8H16O2 Fructose 1,6-bisphosphate C00354 11.2 338.9887489 C6H14O12P2 Fructose 6-phosphate C00085 9.0 259.0224185 C6H13O9P Fumarate C00122 9.3 115.0036586 C4H4O4 Galactarate C00879 9.8 209.0302673 C6H10O8 Glu-Asp 8.6 261.0728008 C9H14N2O7 Gluconate C00257 7.8 195.0510027 C6H12O7 Gluconolactone C00198 4.5 177.0404381 C6H10O6 Glucosamine 6-phosphate C00352 9.1 258.0384029 C6H14NO8P Glucose C00267 6.8 179.0560881 C6H12O6 Glucose 6-phosphate C00092 9.4 259.0224185 C6H13O9P Glucuronolactone C02670 4.4 175.024788 C6H8O6 Glu-Glu 9.8 275.0884509 C10H16N2O7 Glutarate C00489 8.6 131.0349587 C5H8O4 Glyceraldehyde 3-phosphate C00661 9.7 168.990728 C3H7O6P Glycerol 3-phosphate C00093 8.5 171.0063745 C3H9O6P Glycerophosphoethanolamine C01233 8.2 214.0486 C5H14NO6P Glycerophosphoinositol 8.7 333.059198 C9H19O11P Glycochenodeoxycholate C05466 3.2 448.306824 C26H43NO5 Glycocholate C01921 3.9 464.3017381 C26H43NO6 Gly-Leu 5.3 187.1087924 C8H16N2O3 Guanosine diphosphate C00035 10.4 442.0170294 C10H15N5O11P2 Guanosine diphosphate mannose C00096 10.3 604.0698528 C16H25N5O16P2 Guanosine monophosphate C00144 9.3 362.050699 C10H14N5O8P Guanosine triphosphate Hexitols C00749 6.7 181.0717382 C6H14O6 Hippurate C01586 3.9 178.0509432 C9H9NO3 Hydroxy-FA (10:0) C02774 2.5 187.133945 C10H20O3 Hydroxy-FA (18:1) C08365 1.6 297.243495 C18H34O3 Hydroxy-FA (6:0) 1.6 131.0713443 C6H12O3 Hydroxy-FA (7:0) 1.6 145.0869943 C7H14O3 Hydroxy-FA (8:0) C20793 1.6 159.1026 C8H16O3 Hydroxyphenyllactate C03672 5.2 181.0506088 C9H10O4 Indole-3-acetate C00954 4.9 174.0560285 C10H9NO2 Indoleacetaldehyde C00637 2.5 158.0611139 C10H9NO Indoxyl sulfate C08481 4.1 212.0022784 C8H7NO4S Inosine monophosphate C00130 8.7 347.0397999 C10H13N4O8P Itaconate C00490 8.7 129.0193087 C5H6O4 Lactate C01432 5.9 89.02439406 C3H6O3 Leu-Val 3.3 229.1557426 C11H22N2O3 Lithocholyltaurine C02592 2.4 482.2945442 C26H45NO5S Lumichrome C01727 2.4 241.073076 C12H10N4O2 Malate C00149 9.3 133.0142233 C4H6O5 Malonate C00383 8.9 103.0036586 C3H4O4 Methyglutarate 8.2 145.0506088 C6H10O4 Mevalonate C00418 5.1 147.06626 C6H12O4 Myoinositol C00137 8.4 179.0560881 C6H12O6 N-Acetylalanine 5.1 130.0509432 C5H9NO3 N-Acetylasparagine 6.7 173.0567568 C6H10N2O4 N-Acetylaspartate C01042 8.6 174.0407724 C6H9NO5 N-Acetylcysteine 4.6 162.0230138 C5H9NO3S N-Acetylglycine 5.7 116.0352931 C4H7NO3 N-Acetylhexosamine phosphate 8.6 300.0489676 C8H16NO9P N-Acetylhexosamine sulfate C03953 6.7 300.0394518 C8H15NO9S N-Acetylleucine C02710 3.3 172.0978934 C8H15NO3 N-Acetylmethionine C02712 3.7 190.054314 C7H13NO3S N-Acetylornithine C00437 7.2 173.0931 C7H14N2O3 N-Acetylphenylalanine C03519 3.2 206.0822433 C11H13NO3 N-Acetylserine 6.4 146.0458578 C5H9NO4 N-Acetyltryptophan 4.2 245.0931423 C13H14N2O3 NADH C00004 8.2 664.1174717 C21H29N7O14P2 N-Formylmethionine C03145 4.2 176.0386639 C6H11NO3S Nicotinamide hypoxanthine dinucleotide C04423 8.3 663.08584 C21H26N6O15P2 N-Undecanoylglycine 2.5 242.1761437 C13H25NO3 Ophthalmate C21016 7.4 288.1200854 C11H19N3O6 Orotate C00295 5.7 155.0098066 C5H4N2O4 Oxalate C00209 11.2 88.98800855 C2H2O4 Oxoadipate C00322 8.7 159.029875 C6H8O5 Oxohexanoic acid C00902 1.9 129.0556942 C6H10O3 Oxoproline C01879 5.7 128.0352931 C5H7NO3 P-DMEA C13482 8.0 168.0430944 C4H12NO4P Pentoses C00121 6.3 149.0455234 C5H10O5 Phenylpyruvate C00166 2.7 163.0400441 C9H8O3 Phosphoenolpyruvate C00074 10.7 166.9750744 C3H5O6P PI (32:0) 1.3 809.5185291 C41H79O13P PS (34:2) 1.3 758.4977341 C40H74NO10P PS (36:1) 1.3 788.5446848 C42H80NO10P PS (36:4) 1.3 782.4977341 C42H74NO10P PS (38:3) 1.3 812.5446848 C44H80NO10P PS (38:5) 1.3 808.5133846 C44H76NO10P PS (38:6) 1.3 806.4977346 C44H74NO10P PS (40:5) 1.3 836.5446848 C46H80NO10P PS (40:6) 1.3 834.5290347 C46H78NO10P PS (40:7) 1.3 832.5133846 C46H76NO10P Psicose C06468 5.5 179.05609 C6H12O6 Pyruvate C00022 5.0 87.0087 C3H4O3 Quinolinate C03722 9.0 166.0145577 C7H5NO4 Ribitol C00474 6.0 151.0611735 C5H12O5 Riboflavin C00255 3.9 375.1309844 C17H20N4O6 Ribulose/Ribose/Xylulose 5-phosphate C00199/C00117/C00231 8.9 229.0118538 C5H11O8P Saccharopine Salicylamide 1.8 136.0403785 C7H7NO2 Salicylate C00805 2.7 137.0243941 C7H6O3 Sedoheptulose 7-phosphate C05382 9.4 289.033 C7H15O10P Suberate C08278 7.5 173.0819089 C8H14O4 Succinate C00042 8.8 117.0193087 C4H6O4 Sulfolactate C11537 10.5 168.9812 C3H6O6S Tartrate C00898 9.8 149.0091379 C4H6O6 Thioproline 5.0 132.0124492 C4H7NO2S Threonate 7.4 135.0298734 C4H8O5 Thymidine monophosphate C00364 7.4 321.049302 C10H15N2O8P Thymidine triphosphate Thymine C00178 2.6 125.0356274 C5H6N2O2 trans-Aconitate C02341 11.1 173.0091379 C6H6O6 UDP-glucose C00029 9.4 565.0477204 C15H24N2O17P2 UDP-N-acetylglucosamine C00043 8.8 606.0742695 C17H27N3O17P2 Uracil C00106 3.2 111.0199774 C4H4N2O2 Urate C00366 7.2 167.02104 C5H4N4O3 Ureidosuccinate 10.0 175.0360214 C5H8N2O5 Uridine C00299 4.3 243.0622361 C9H12N2O6 Uridine diphosphate C00015 9.7 402.9948969 C9H14N2O12P2 Uridine monophosphate C00105 8.6 323.0285665 C9H13N2O9P Uridine triphosphate C00075 10.5 482.9612274 C9H15N2O15P3 Valine C16436 6.1 116.0716786 C5H11NO2 Xanthine C00385 5.3 151.0261254 C5H4N4O2 Xanthosine C01762 7.0 283.0683841 C10H12N4O6 Xanthosine monophosphate C00655 10.6 363.034719 C10H13N4O9P METABOLITES_END #END