#METABOLOMICS WORKBENCH hodginsj_20240521_203616 DATATRACK_ID:4855 STUDY_ID:ST003297 ANALYSIS_ID:AN005401 PROJECT_ID:PR002048 VERSION 1 CREATED_ON May 22, 2024, 12:07 am #PROJECT PR:PROJECT_TITLE Metabolomic profiling of cultured TRAMP-C2 cells in the presence or absence of PR:PROJECT_TITLE PD-L1. PR:PROJECT_SUMMARY Recent evidence suggests that PD-L1, well-known as the ligand of the immune PR:PROJECT_SUMMARY inhibitory receptor PD-1, can have cell-intrinsic effects in cancer and immune PR:PROJECT_SUMMARY cells. One such cell-intrinsic effect is modulation of cellular metabolism, PR:PROJECT_SUMMARY including regulation of mTOR activity and glycolysis. Here, we analyzed the PR:PROJECT_SUMMARY metabolome of cultured mouse prostate cancer cells (TRAMP-C2) expressing PD-L1 PR:PROJECT_SUMMARY or with PD-L1 deleted via CRISPR/Cas9. PR:INSTITUTE University of Ottawa PR:LAST_NAME Hodgins PR:FIRST_NAME Jonathan PR:ADDRESS 451 Smyth Rd, Ottawa, Ontario, K1H 8M5, Canada PR:EMAIL jonathanhodgins17@gmail.com PR:PHONE 613-562-5800 #STUDY ST:STUDY_TITLE Metabolomic profiling of cultured TRAMP-C2 cells in the presence or absence of ST:STUDY_TITLE PD-L1. ST:STUDY_SUMMARY Recent evidence suggests that PD-L1, well-known as the ligand of the immune ST:STUDY_SUMMARY inhibitory receptor PD-1, can have cell-intrinsic effects in cancer and immune ST:STUDY_SUMMARY cells. One such cell-intrinsic effect is modulation of cellular metabolism, ST:STUDY_SUMMARY including regulation of mTOR activity and glycolysis. Here, we analyzed the ST:STUDY_SUMMARY metabolome of cultured mouse prostate cancer cells (TRAMP-C2) expressing PD-L1 ST:STUDY_SUMMARY or with PD-L1 deleted via CRISPR/Cas9. ST:INSTITUTE University of Ottawa ST:LAST_NAME Hodgins ST:FIRST_NAME Jonathan ST:ADDRESS 451 Smyth Rd, Ottawa, ON K1H 8M5, Canada ST:EMAIL jonathanhodgins17@gmail.com ST:PHONE 613-562-5800 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Male SU:CELL_PRIMARY_IMMORTALIZED Immortalized #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 - 2021-11-22 KO_Lys_1in10_01 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in10_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in10_02 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in10_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in10_03 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in10_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in10_04 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in10_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in10_05 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in10_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in10_06 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in10_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in100_01 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in100_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in100_02 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in100_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in100_03 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in100_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in100_04 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in100_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in100_05 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in100_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_1in100_06 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_1in100_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_UnDiluted_01 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_UnDiluted_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_UnDiluted_02 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_UnDiluted_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_UnDiluted_03 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_UnDiluted_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_UnDiluted_04 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_UnDiluted_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_UnDiluted_05 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_UnDiluted_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 KO_Lys_UnDiluted_06 Sample source:Cell lysate | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-22 KO_Lys_UnDiluted_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in10_01 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in10_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in10_02 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in10_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in10_03 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in10_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in10_04 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in10_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in10_05 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in10_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in10_06 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in10_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in100_01 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in100_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in100_02 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in100_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in100_03 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in100_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in100_04 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in100_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in100_05 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in100_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_1in100_06 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_1in100_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_UnDiluted_01 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_UnDiluted_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_UnDiluted_02 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_UnDiluted_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_UnDiluted_03 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_UnDiluted_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_UnDiluted_04 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_UnDiluted_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_UnDiluted_05 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_UnDiluted_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-22 WT_Lys_UnDiluted_06 Sample source:Cell lysate | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-22 WT_Lys_UnDiluted_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in10_01 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in10_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in10_02 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in10_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in10_03 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in10_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in10_04 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in10_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in10_05 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in10_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in10_06 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in10_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in100_01 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in100_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in100_02 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in100_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in100_03 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in100_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in100_04 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in100_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in100_05 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in100_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 KO_Media_1in100_06 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-18 KO_Media_1in100_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in10_01 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in10_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in10_02 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in10_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in10_03 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in10_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in10_04 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in10_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in10_05 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in10_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in10_06 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in10_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in100_01 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in100_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in100_02 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in100_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in100_03 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in100_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in100_04 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in100_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in100_05 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in100_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 WT_Media_1in100_06 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-18 WT_Media_1in100_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 KO_CM_UnDiluted_01 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-24 KO_CM_UnDiluted_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 KO_CM_UnDiluted_02 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-24 KO_CM_UnDiluted_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 KO_CM_UnDiluted_03 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-24 KO_CM_UnDiluted_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 KO_CM_UnDiluted_04 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-24 KO_CM_UnDiluted_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 KO_CM_UnDiluted_05 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-24 KO_CM_UnDiluted_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 KO_CM_UnDiluted_06 Sample source:Conditioned media | Genotype:PD-L1 KO RAW_FILE_NAME(Raw file name)=2021-11-24 KO_CM_UnDiluted_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 WT_CM_UnDiluted_01 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-24 WT_CM_UnDiluted_01.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 WT_CM_UnDiluted_02 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-24 WT_CM_UnDiluted_02.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 WT_CM_UnDiluted_03 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-24 WT_CM_UnDiluted_03.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 WT_CM_UnDiluted_04 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-24 WT_CM_UnDiluted_04.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 WT_CM_UnDiluted_05 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-24 WT_CM_UnDiluted_05.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 WT_CM_UnDiluted_06 Sample source:Conditioned media | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=2021-11-24 WT_CM_UnDiluted_06.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 MediaOnly_1in10 Sample source:Culture media | Genotype:N/A RAW_FILE_NAME(Raw file name)=2021-11-18 MediaOnly_1in10.d SUBJECT_SAMPLE_FACTORS - 2021-11-18 MediaOnly_1in100. Sample source:Culture media | Genotype:N/A RAW_FILE_NAME(Raw file name)=2021-11-18 MediaOnly_1in100.d SUBJECT_SAMPLE_FACTORS - 2021-11-24 Media Only_UnDiluted Sample source:Culture media | Genotype:N/A RAW_FILE_NAME(Raw file name)=2021-11-24 Media Only_UnDiluted.d #COLLECTION CO:COLLECTION_SUMMARY Cells were placed on ice and the culture media was removed. Cells were washed CO:COLLECTION_SUMMARY twice with ice-cold PBS, and scraped into chilled 2 mL tubes, and frozen until CO:COLLECTION_SUMMARY metabolite extraction. CO:SAMPLE_TYPE Cultured cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Cultured cells were not treated with any exogenous agents. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were mixed with 230 uL of 1:1 methanol:water, along with 6 washed 1.4 mm SP:SAMPLEPREP_SUMMARY ceramic beads. Samples were vortexed for 10 s and cell lysis was done by beating SP:SAMPLEPREP_SUMMARY for 60 s at 2000 rpm (bead beating was done twice) after adding 220 µL of SP:SAMPLEPREP_SUMMARY acetonitrile. Samples were then incubated with a 2:1 dichloromethane:water SP:SAMPLEPREP_SUMMARY solution on ice for 10 minutes. The polar and non-polar phases were separated by SP:SAMPLEPREP_SUMMARY centrifugation at 4000g for 10 minutes at 1°C. The upper polar phase was dried SP:SAMPLEPREP_SUMMARY using a refrigerated CentriVap Vacuum Concentrator at -4°C (LabConco SP:SAMPLEPREP_SUMMARY Corporation, Kansas City, MO). Samples were resuspended in water. SP:PROCESSING_STORAGE_CONDITIONS On ice #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Ion pair CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Agilent ZORBAX RRHD Extend-C18 (50 x 2.1mm,1.8um) CH:SOLVENT_A 97:3 water/methanol with 10 mM tributylamine + 15 mM acetic acid CH:SOLVENT_B methanol with 10 mM tributylamine + 15 mM acetic acid CH:FLOW_GRADIENT Unknown CH:FLOW_RATE 0.25 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6470A MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Multiple reaction monitoring (MRM) transitions were optimized using authentic MS:MS_COMMENTS standards and quality control samples. Metabolites were quantified by MS:MS_COMMENTS integrating the area under the curve of each compound using external standard MS:MS_COMMENTS calibration curves with Mass Hunter Quant (Agilent). No corrections for ion MS:MS_COMMENTS suppression or enhancement were performed. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples 2021-11-22 KO_Lys_1in10_04 2021-11-22 WT_Lys_1in10_06 2021-11-22 KO_Lys_1in10_02 2021-11-22 WT_Lys_1in10_05 2021-11-22 KO_Lys_1in10_06 2021-11-22 WT_Lys_1in10_01 2021-11-22 KO_Lys_1in10_03 2021-11-22 WT_Lys_1in10_02 2021-11-22 KO_Lys_1in10_05 2021-11-22 WT_Lys_1in10_03 2021-11-22 KO_Lys_1in10_01 2021-11-22 WT_Lys_1in10_04 2021-11-22 KO_Lys_UnDiluted_04 2021-11-22 WT_Lys_UnDiluted_06 2021-11-22 KO_Lys_UnDiluted_02 2021-11-22 WT_Lys_UnDiluted_05 2021-11-22 KO_Lys_UnDiluted_06 2021-11-22 WT_Lys_UnDiluted_01 2021-11-22 KO_Lys_UnDiluted_03 2021-11-22 WT_Lys_UnDiluted_02 2021-11-22 KO_Lys_UnDiluted_05 2021-11-22 WT_Lys_UnDiluted_03 2021-11-22 KO_Lys_UnDiluted_01 2021-11-22 WT_Lys_UnDiluted_04 2021-11-22 KO_Lys_1in100_04 2021-11-22 WT_Lys_1in100_06 2021-11-22 KO_Lys_1in100_02 2021-11-22 WT_Lys_1in100_05 2021-11-22 KO_Lys_1in100_06 2021-11-22 WT_Lys_1in100_01 2021-11-22 KO_Lys_1in100_03 2021-11-22 WT_Lys_1in100_02 2021-11-22 KO_Lys_1in100_05 2021-11-22 WT_Lys_1in100_03 2021-11-22 KO_Lys_1in100_01 2021-11-22 WT_Lys_1in100_04 2021-11-18 KO_Media_1in10_04 2021-11-18 WT_Media_1in10_06 2021-11-18 KO_Media_1in10_02 2021-11-18 WT_Media_1in10_05 2021-11-18 KO_Media_1in10_06 2021-11-18 WT_Media_1in10_01 2021-11-18 KO_Media_1in10_03 2021-11-18 WT_Media_1in10_02 2021-11-18 KO_Media_1in10_05 2021-11-18 WT_Media_1in10_03 2021-11-18 KO_Media_1in10_01 2021-11-18 MediaOnly_1in10 2021-11-18 WT_Media_1in10_04 2021-11-18 KO_Media_1in100_04 2021-11-18 WT_Media_1in100_06 2021-11-18 KO_Media_1in100_02 2021-11-18 WT_Media_1in100_05 2021-11-18 KO_Media_1in100_06 2021-11-18 WT_Media_1in100_01 2021-11-18 KO_Media_1in100_03 2021-11-18 WT_Media_1in100_02 2021-11-18 KO_Media_1in100_05 2021-11-18 WT_Media_1in100_03 2021-11-18 KO_Media_1in100_01 2021-11-18 MediaOnly_1in100. 2021-11-18 WT_Media_1in100_04 2021-11-24 KO_CM_UnDiluted_04 2021-11-24 WT_CM_UnDiluted_06 2021-11-24 KO_CM_UnDiluted_02 2021-11-24 WT_CM_UnDiluted_05 2021-11-24 KO_CM_UnDiluted_06 2021-11-24 WT_CM_UnDiluted_01 2021-11-24 KO_CM_UnDiluted_03 2021-11-24 WT_CM_UnDiluted_02 2021-11-24 KO_CM_UnDiluted_05 2021-11-24 WT_CM_UnDiluted_03 2021-11-24 Media Only_UnDiluted 2021-11-24 KO_CM_UnDiluted_01 2021-11-24 WT_CM_UnDiluted_04 Factors Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Cell lysate | Genotype:PD-L1 KO Sample source:Cell lysate | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Culture media | Genotype:N/A Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Culture media | Genotype:N/A Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Sample source:Culture media | Genotype:N/A Sample source:Conditioned media | Genotype:PD-L1 KO Sample source:Conditioned media | Genotype:Wild-type Galactosamine 0 0 448.3495482 0 0 380.4248337 0 159.0769553 87.68078251 261.0805694 296.3204832 0 0 44.03778233 16.32324249 60.61385478 27.32359778 108.1525523 25.60532725 4.719726872 12.47576295 49.27711732 0 65.03038414 0 0 2541.576383 1005.843552 0 6990.95544 3680.930521 1219.22277 2479.09532 0 1374.014691 5252.676026 154.0004902 219.6885702 24.3717254 94.3344849 50.35674163 82.29655014 0 9.841413606 0 334.9123277 69.83933655 14.16981084 0 1342.674751 107.2466508 165.3293431 0 97.86253603 1021.341892 383.07173 410.4202712 19.221914 466.5623986 1040.517909 0 188.9179225 294.2391759 149.9541148 37.11031816 174.3789313 0 0.618337089 99.10669749 6.47957576 64.74868365 291.714482 74.44650134 0 159.3140047 Arginine 0 0 0 0 0 0 0 0 0 0.50741082 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 30.21674543 0 0 0 0 0 0 0 0 0 0 0 0 182.5485881 0 0 0 0 0 0 0 0 0 0 0 5.436346423 0 0 Thiamine 9.591815836 8.924837282 8.313726837 11.43216279 9.697983623 9.041514268 8.84730718 12.32289953 8.792635882 12.0673273 9.033638247 9.873913044 2.036356452 1.568279566 1.311775187 2.652182206 2.195905274 1.629447414 1.634079213 2.6138172 1.463677827 2.658781393 1.673171745 1.94269548 69.37877703 69.24809338 69.47825923 70.08803362 69.33672581 69.45701556 69.71983634 70.6901548 69.77075308 70.61485708 69.40042346 69.84951625 18.41106444 18.53621355 18.57060197 19.31112997 18.81378235 17.7728767 18.78456427 18.45265523 17.6732374 18.69297827 18.0729152 20.28063447 17.88240242 96.32502444 96.38551235 109.1802817 95.6869248 100.668301 90.47678733 109.5031415 109.0064529 101.523286 113.7380165 104.818145 109.521558 93.08054904 4.297119663 3.432406758 4.17383551 3.513987261 3.990316365 4.611028606 3.8367335 3.413896089 4.110326113 3.89223948 3.035130615 3.68612889 3.828458664 Pyridoxamine 1.568727159 1.526974457 1.550527496 1.586525886 1.62335994 1.581022647 1.772412938 1.532984039 1.616422868 1.560501668 1.722417226 1.560047383 0.153009874 0.181090354 0.152862048 0.153672186 0.164130582 0.171725997 0.155883959 0.170289464 0.160935438 0.161102158 0.190557805 0.152323296 15.25121399 16.27184952 18.5560763 15.88220363 16.64682722 15.49168639 16.10385837 17.20580243 22.48454854 15.25179256 15.46098929 16.45006225 1.609916088 1.580881009 1.519582176 1.611978115 1.752833463 1.569605273 1.64179528 1.627593605 1.602412097 1.558797663 1.531435179 1.618888075 1.702434002 17.85240485 15.37113239 15.20941026 15.24285621 15.45139833 15.61575302 15.6200957 15.45237756 15.19154599 18.45493907 17.39453735 15.24047489 15.28462588 0.050440123 0.055728822 0.046861647 0.055022813 0.065910278 0.055467774 0.04797886 0.046807337 0.052425878 0.056896779 0.08051413 0.050518024 0.04659019 Histidine 41.01245589 37.2556089 44.04006579 26.92076352 43.24050703 30.32582717 44.43242331 26.21908745 45.60100672 33.69843614 39.54287365 30.30088127 13.14154695 16.18405507 20.78181074 5.41994346 10.28314765 12.79167164 15.51199618 5.655684684 20.51502379 7.062778522 15.36858541 9.69617148 122.96011 134.5855028 138.8264363 120.3214145 133.8883326 113.3132937 166.4690077 114.9935035 111.6835406 162.1137396 165.3055114 137.6167654 12.66734765 12.69390295 13.63957964 13.76219341 13.31039299 12.79748979 11.973333 12.82768871 13.33307 12.22354782 10.97350614 12.63131873 15.21410981 108.4811067 91.09457326 114.7714866 111.1765446 118.9676821 105.111246 119.1858955 133.1532696 109.3637309 122.2173961 118.1286468 131.3796529 97.98386791 2.156403799 1.796142068 2.065201332 1.663600527 1.956014562 2.254270907 1.978303677 1.675936874 1.985830367 1.977096558 2.21384407 1.809856544 1.712616514 Carnosine 0.403265816 0.385117915 0.392204074 0.368662745 0.380590733 0.385248441 0.425343782 0.365287642 0.403792118 0.415406318 0.39002293 0.384681057 0.049229007 0.056350981 0.062838331 0.046574924 0.050644212 0.055624378 0.054969295 0.044790426 0.065550415 0.046461185 0.055939324 0.049983155 3.630780999 3.63231769 3.680670664 3.911797944 3.706875888 3.900166388 3.971240845 3.715220066 3.719763323 3.700529178 3.692718301 3.764897609 0.375950395 0.329415454 0.33684011 0.301381895 0.324024512 0.317442798 0.293925361 0.415553137 0.320711763 0.365765185 0.344380244 0.316702654 0.31132574 3.084613212 3.730386018 2.944882719 3.08918565 3.62592036 3.962127659 4.123298211 2.986928243 3.258039758 2.919586786 2.987601051 3.746155312 3.42547624 0.067932358 0.07114887 0.066579794 0.071351321 0.065247755 0.070668321 0.066590824 0.068052346 0.068616882 0.068375556 0.069034576 0.06777448 0.072439195 Asparagine 5.010431844 5.427150328 5.977807445 3.156048839 4.538716464 3.210161917 5.56416058 3.142866215 5.147333956 3.95084803 5.798054756 3.875762453 0.650099745 0.686792577 0.857918971 0.2871496 0.596734175 0.474067779 0.65821999 0.339248107 0.784809448 0.474202044 0.684556395 0.498536411 14.390522 16.17839851 16.17578224 11.47093148 12.75627948 10.94484655 18.31977086 8.523131217 13.42507235 17.86748286 19.19671415 12.87333414 0.313122734 0.227866744 0.406103456 0.295560136 0.538268714 0.144445322 0.433958224 0.183294067 0.333501205 0.188931833 0.113383408 0 0.179657954 1.605145836 0.044284005 1.849947351 0 2.290735043 0.156708656 2.718565362 1.43463489 1.611394431 2.093991379 3.451004819 0 0.050441465 0.047828499 0.029639863 0.05208676 0.034250027 0.053174908 0.033419035 0.048338781 0.030066512 0.058567998 0.03185767 0.014208582 0.041549477 0.025885287 Serine 79.33470442 93.90326792 82.77637541 68.02856712 73.15625743 76.23230658 77.93307515 67.37638653 81.02593774 77.09480629 80.97778085 80.85071135 10.24014575 12.66066765 12.2506024 7.784898267 10.0181015 9.858407264 10.69031572 7.464310809 11.86202538 9.307942168 11.58433488 10.4744292 176.9632723 251.3368463 202.436157 222.0098662 181.9284584 208.1071447 235.480085 169.0364748 166.5211054 254.5496134 229.0435468 236.4192782 12.38163891 11.89300098 12.67202141 11.96150217 12.60059877 10.52087833 11.30563753 11.65327075 10.48695504 9.80646574 8.86832087 19.61536604 11.24268765 63.08512518 66.81284366 81.3885847 57.42453413 67.78169379 52.60972225 105.4152972 85.83170167 69.67599961 74.40683236 77.71661227 155.2739257 58.69716107 0.975382794 0.977336396 1.069824546 0.791844223 1.139093708 1.150328251 1.142689878 0.751916645 1.115558754 0.948799314 2.84347047 0.875078449 0.755887047 Cystathionine 0 0.273145723 0.088671648 0.259408524 0 0.11674757 0 0 0.033398716 0.05593102 0.067428432 0 0.024563786 0.045814449 0.03849035 0.020887588 0.012249826 0.03881042 0.051946553 0.000196618 0.021173347 0.007125323 0.055184599 0.034761689 0 0 0 0 0.660987141 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.936581532 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Carnitine 0 0 0 0 0 0 0 0 0 0 0 0 0.036429292 0.109196575 0 0 0 0.042276871 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glutamine 499.032988 714.6039082 559.0089136 515.1582431 512.839296 548.8815636 506.5092559 495.0767899 533.5602354 640.1840985 525.227663 620.7239998 75.64118566 109.4072294 96.59204875 64.8468036 75.64672971 74.98962383 75.85827321 65.6283265 86.78306542 80.08222881 81.92732703 91.34366638 1078.499176 1837.48877 1277.670071 1582.422503 1133.293827 1514.643881 1548.495625 1235.018644 1065.88547 2049.84578 1353.894814 1837.611388 137.2736136 165.0837661 145.5724243 152.1680978 146.0807642 153.8484418 130.1190338 167.8527702 119.3512498 135.7713029 86.84679164 213.9819945 159.7838684 710.5707473 824.5685774 931.1859973 738.1799613 794.9817765 617.8992553 877.5600355 990.1688805 724.6408285 1104.137032 829.7200447 1953.379285 713.2423449 13.58907892 13.83443286 14.43411688 12.37657421 13.90835385 21.0969965 14.13680616 10.8555841 14.17184197 13.98918231 43.67115199 11.65887391 11.89082134 Homoserine 87.24820233 71.3288803 82.55663913 62.87348722 97.21291412 68.91917163 64.93543225 9.419481285 35.33671903 66.26304404 69.1585918 56.99723686 4.672553221 13.9193768 15.25481561 8.09343453 10.38640186 7.352975991 11.90470121 2.495973981 12.97084018 9.623673802 15.45954419 12.16364349 47.50377805 2.033590399 0 43.30227592 17.62221969 0 0 96.60250828 0 110.6577199 25.28340324 155.2504698 2.025158692 4.716142818 9.645545088 11.55409831 7.914494964 3.963263222 3.333691656 6.360764154 5.766844317 0 0 7.807051844 10.75656648 0 0 0 0 2.540673328 0 78.01306769 58.38929203 0 57.48321452 0 33.04410599 24.00092037 0 0 0 0 0 0 0 0 0 0 0 0 0 Alanine/Sarcosine 492.4478013 539.1767465 545.1789584 407.3970321 524.6814178 404.3177763 442.002729 405.177072 435.4105255 483.454258 514.0800075 567.4189969 57.36109145 57.9109161 67.10935328 62.68371986 68.80933662 46.26961621 64.74970272 60.95370869 54.87342869 61.81664166 74.04027426 69.61090398 1095.541426 1443.046157 1375.442455 1099.407043 1190.744456 1148.364061 1463.971617 988.1604119 966.2807765 1567.771012 1471.967946 1331.216497 222.049268 179.9803067 215.9043315 205.0011837 224.9394636 178.5394972 232.622437 178.2573806 230.0643333 199.9596295 228.2357291 36.07298653 186.8655339 638.9011461 498.1408665 808.8896202 592.4035728 697.3269657 426.3983565 851.9852415 986.0243534 1046.804834 988.1954764 767.8468642 66.79930673 502.7542676 28.9957952 24.12395582 39.49339671 27.4113844 32.44429149 34.32577338 40.46725851 17.98544396 37.56728031 28.36513934 5.447988308 30.52552632 21.25638391 Cystine 0.127924525 0.115872673 0.128751873 0.061781027 0.078479468 0.01475021 0.084183578 0.0713736 0.128496181 0.113637058 0.137896487 0.115526386 0.026524279 0.03636847 0.052350879 0.013088949 0.030286061 0.016635814 0.030156115 0.007079991 0.027999196 0.013978517 0.042850558 0.020087251 0 0 0 0 0 0 0 0 0 0.005567749 0 0 0.531581287 0.60883985 0.530308323 0.575630459 0.558826414 0.605460878 0.472104411 0.650787315 0.390778214 0.392005025 0.274250001 0.945365705 0.675618617 5.068920416 8.12697219 8.103633496 7.208127601 7.939493023 5.994436091 7.876408555 10.56566184 6.770468042 10.64569649 7.653565482 29.62611948 6.138384714 0.024610811 0.033438042 0.026263372 0.024512675 0.027424597 0.044185803 0.026845828 0.021701363 0.030513179 0.029385605 0.122582128 0.019271664 0.024498222 trans-4-Hydroxy-L-proline 3.551975332 3.957469437 3.536870909 2.142356363 2.930188441 3.195492951 3.039175707 2.355830426 3.208822726 2.794563567 3.266018403 3.56231016 0.172751955 0.292636037 0.213622828 0.142690486 0.335260687 0.17195862 0.178281647 0.10007198 0.293432231 0.152370822 0.209107099 0.186004018 0 1.442469933 0.545206612 1.202332376 0 0 0.593412875 0 0 4.829221283 0 1.911872829 0.257564048 0.243291836 0.272102575 0.403850057 0.209525747 0.223768432 0.523240684 0.508444283 0.24574566 0.165119372 0.277723098 0.097928975 0.635525958 0 0 1.00741681 0 0.419393711 0 0.876723399 0 0.639232568 1.724281729 0 0 0 0 0 0.00879862 0.014695761 0 0.004572758 0 0 0.010863015 0 0.00344702 0.02480245 0.003661706 Hypotaurine 14.69819661 29.44321224 15.76655595 23.70905493 14.22170824 28.21551658 14.45193375 20.88170971 15.43185456 24.44509956 15.7453108 29.25640894 1.446679431 2.594771942 1.689164342 1.843712007 1.354067912 2.617945754 1.499561911 1.592876978 2.377166795 2.114022233 1.496126501 2.842329659 19.15204057 58.60364676 32.15318433 47.54926657 21.08924399 61.21469987 30.60277618 30.38155609 21.35952328 46.63584999 25.65197361 58.54632878 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Taurine 262.5591395 361.2410526 261.7432516 409.4344224 257.9863653 402.4303175 249.3530988 378.6695597 269.4246268 383.2438241 286.2892928 417.2845386 56.06834287 81.17472256 59.17072798 62.26085858 55.0972448 91.62397901 53.32559021 74.6166728 68.47859334 75.75989139 53.45223359 82.26582099 450.9438176 767.315639 535.198015 836.09985 471.3963798 834.769281 592.4006114 590.5921451 449.9845708 840.28065 627.9867506 886.4072972 4.799112509 2.539972624 5.110824545 3.804340991 5.802947638 2.460763409 4.488582845 2.987950079 3.785546971 2.194011048 2.514638924 4.717046105 3.740556894 13.11739589 6.066925566 21.7055442 7.723292986 15.50103053 4.305432032 25.04184044 8.495664087 17.77035928 17.58513479 21.66382465 38.49575265 4.862484807 0.254839348 0.104853351 0.27804957 0.153472921 0.281704161 0.284389972 0.332631837 0.080690988 0.29574811 0.192031342 0.767006071 0.216654921 0.094725827 5-Methylcytosine 116.2607903 161.8977063 118.9174981 177.5548629 113.8051722 178.0533235 110.9216172 162.6156616 120.1970483 168.2973648 125.931926 184.0984905 23.52226622 33.57817237 24.88219739 26.1598702 23.11988856 38.09056759 22.30583096 30.39716368 27.67021157 31.61298571 24.52589529 36.85448549 202.7794159 352.2423873 243.1688525 380.6380816 212.5840759 386.9351421 274.9827023 262.3655004 205.4721611 376.3319992 287.0400731 417.0103278 1.237258348 0.331608439 1.493473385 0.826327351 1.604429385 0.269845413 1.31247191 0.501708184 0.842672379 0.198638807 0.272188407 1.199477749 0.726157241 0 0 2.058774184 0 0 0 2.780492026 0 0 0 0.928741507 8.476598217 0 0.026526803 0 0.029540939 0 0.030528243 0.037813561 0.059579488 0 0.04334553 0 0.244691603 0.004180888 0 Threonine 375.2191466 434.6099633 419.2464988 288.0962579 358.9070878 329.8601467 369.6822833 289.7268037 386.7788035 359.1978603 404.8274227 361.2780749 51.98747242 58.91920477 79.38937733 43.22055851 54.30712706 40.21124529 74.16208259 33.31958461 53.83685252 43.47351422 83.82043351 56.97978396 857.5477627 1129.795465 1029.274956 905.4638385 876.5590365 888.3987899 1153.132202 739.0063458 838.2046272 1180.831069 1140.176816 1051.507182 50.23724234 42.86469224 49.44245404 44.88242102 49.32662663 44.95720218 49.22391793 46.13391321 48.79000307 41.11179988 39.49864019 38.76108039 46.79069012 286.4908452 263.3728728 368.3131104 282.9891016 323.453564 233.3997675 374.1334693 315.7995719 322.3451314 348.3461991 346.8410925 292.9559038 252.2250834 6.561359878 5.862717766 6.950157528 5.0100929 7.339806294 8.511459445 8.285225895 4.099853733 7.890166437 6.507429397 6.813294495 5.46999475 4.290050342 Hexoses 340.4789673 249.2796003 178.7409806 718.2845658 349.8488774 398.8732925 279.2036145 778.7276437 262.4437641 603.9286259 258.1370783 411.5178891 31.06156382 22.78042117 16.64904221 61.98728003 40.10908287 35.80959823 26.93013025 61.60292218 24.03749655 53.96726386 23.54382969 39.53855335 969.3398368 804.1313974 558.5959082 2467.757166 1047.805073 1313.054166 1099.16104 2282.954339 704.5447989 2273.146787 892.9184092 1423.455986 2317.403545 2456.921417 2326.224055 2428.665579 2298.430933 2468.528772 2278.669239 2632.963323 2217.976616 2560.142741 2248.41372 2742.257383 2530.58244 11308.96489 12682.43314 14064.19325 12594.7847 12863.40803 10975.8907 13371.73727 15385.67556 12762.9659 16511.20777 13190.14865 20450.14055 11957.55485 257.5382598 285.6589156 258.5687102 271.8020718 260.1493734 296.5879725 264.603603 266.3107391 261.8785386 280.8007035 390.3415076 246.4154251 267.361338 Citrulline 59.26278686 46.39718595 62.60729627 33.02289699 56.16919039 36.37212646 59.45786004 35.69783165 60.87512142 40.27162445 64.53457789 40.05982891 7.287586771 5.618767834 8.251856175 3.407456824 7.072244798 4.233051026 7.487277504 3.758762692 7.880081671 4.545962714 7.793359347 4.491513126 123.1712638 111.4800649 155.582649 90.19710048 127.5242113 98.03088254 172.4567915 87.28964198 116.4773269 125.4271296 167.4130462 111.2137293 22.44775291 15.90555742 21.8120911 15.53753748 23.16223983 14.59025141 21.7985047 16.15427686 20.63091357 12.74201343 17.51532212 0 15.86753646 110.0300839 81.3912559 167.179725 88.42940371 141.8042873 67.30334041 169.4735819 96.25288699 139.068695 107.0561609 148.4280321 0 69.48140055 1.95537232 1.119656526 1.955116992 1.093336215 1.859305838 1.649810411 2.055030988 1.044093733 1.961954668 1.292699706 0.021488229 1.732415143 0.97658573 Disaccharide 0 0.941556625 0.017855246 2.316765093 0 0 0 0.216546305 0.708176283 1.547882877 0 0.349593501 0.039409159 0 0.010074748 0.073264124 0 0 0 0.21437452 0 0.080830332 0 0 0.845831936 0 0 0 0 0 0 0.231745501 0 16.10456167 0 0 0 0.735619412 2.992218949 4.019501054 4.883582852 6.12722816 6.315885683 5.436514739 2.12765353 3.301499006 7.383541845 12.60480181 4.542848066 19.35508223 13.96201563 10.52228778 38.60654141 34.84631251 10.15026721 5.556977715 27.23586317 36.00072155 63.13719415 28.06608064 18.78303557 13.43580567 4.350171292 5.4723264 4.599159296 5.755341684 4.531153125 3.079544987 4.333627687 6.612048423 3.522835823 5.214898371 6.204143013 5.733534599 6.686768181 Pentose Alcohol 0.329458091 0.554210768 0.279606267 0.324798776 0.385069586 0.496408035 0.058532951 0.621255959 0.143979227 0.369560216 0 0.453178334 0 0.072466275 0 0.002090573 0 0.041814153 0 0.047722103 0.006710813 0.029764881 0 0.072100141 0 0 0 0 0 0 0 0 0 0 0 0 0.781278028 0.609544838 0.838458209 0.551902465 0.865888039 0.5889715 0.675358862 0.749747729 1.042087826 0.562837517 0.740775477 0.545425473 0.646008472 2.395975669 2.315178642 5.638431418 3.262883122 4.31078365 0.649145478 2.633817733 3.961831333 4.665521976 3.973681894 3.477183699 2.298591889 1.764671779 0.055219672 0.036762706 0.02286048 0.043818974 0.03313161 0.024312219 0.032029276 0.033738557 0.06191993 0.038961157 0.034821032 0.033886619 0.033608437 Creatine 663.8039296 848.3428728 700.5659298 680.6182053 613.8559612 775.9356563 652.2879719 609.3489037 690.5519677 730.6115807 758.1414258 865.0802445 82.25365909 131.4560209 118.0440977 98.90848865 95.61045137 122.3026213 100.6559436 62.15067152 104.640001 98.6208388 115.0156798 134.2700066 1163.059293 2020.701109 1501.180814 1732.269806 1323.248749 1773.612368 1606.551464 1276.975161 1245.290615 2279.30712 2055.280586 2089.096776 11.0590701 8.878207299 10.02519856 12.80144183 9.923721213 6.919771947 8.818479502 8.44829144 11.66543016 9.281254815 9.013958553 12.1391311 9.649149833 37.12436836 39.14145364 52.03917685 37.20000216 55.26628547 13.49834632 51.76644235 40.13951087 61.38848167 61.31666276 33.55085786 57.81948136 16.98015376 0.54265208 0.403546917 0.557754699 0.336948119 0.436055595 0.466817749 0.675810104 0.340058896 0.777333369 0.505337491 0.510888958 0.611074355 0.314105107 Proline 179.178354 167.3671993 187.0253755 97.372876 153.3032217 93.66158498 154.8252713 114.6404711 172.591322 141.7932015 179.5085816 114.3378557 32.70229273 31.11453216 36.57248025 8.859321651 30.48277753 18.48054051 32.3695525 16.40381247 31.83606437 23.6552187 39.41861419 23.54668506 167.7902423 296.456654 316.4907538 140.5901699 284.3030497 154.1495243 385.2775103 203.0197976 190.6282214 287.2578228 420.776678 245.2312348 13.31304739 4.972099974 10.84170769 12.3321291 15.0438538 6.645137435 9.963952808 4.977748579 17.56436863 6.191359424 22.36391933 2.217265599 7.207099149 43.56650267 35.52949758 74.65602049 27.08999838 51.61610697 33.76440434 61.05682055 27.84100287 68.39593 39.09127158 67.12715312 39.85075662 25.47862677 1.010719283 0.57901259 1.93788816 0.319001399 2.732550511 0.391191063 2.919613705 0 3.33538911 0.514868565 0 1.630584944 2.069541063 Pentoses 0 0 0.58940848 3.573736775 2.499192696 1.660885479 0.727549507 4.434105037 0 7.402276951 0.01839693 0 0.829777137 0.291397627 1.09039454 0.544676681 0.232360213 0.245353326 0.243836481 0.665358071 0.156758898 1.975059904 2.154661264 0.721791766 0 0 0 0 0 0 0 0 0 5.506767492 0 0 35.91797207 33.15028752 28.62562289 33.75762751 31.28816544 29.57836237 25.80723882 30.05168593 32.13350325 32.74425597 27.08707991 35.88349052 35.01366943 195.6224971 252.8433988 224.8141899 224.730552 233.592506 201.3768194 223.3944585 236.6683941 268.2120863 276.8918422 243.7729955 339.6067769 207.9177672 8.159077016 9.821075634 7.617797817 9.141553433 7.218433843 5.966189726 7.001278798 9.703893436 6.38943374 9.791156858 13.90152546 8.1493549 9.821542284 Nicotinamide 162.8658427 132.5868233 160.4879448 152.7999179 73.78577179 209.7664607 179.252734 107.4653206 172.4173861 186.9896252 171.5927667 100.8063099 98.8788852 126.3341965 126.8467591 82.59857221 119.2245855 129.9407852 109.4797009 113.6866228 113.0116049 84.90928652 136.4394253 133.9159435 0 0 442.0924666 0 0 0 398.0929126 0 35.19306389 0 0 363.328592 1103.221638 272.521633 872.9002343 358.0329864 138.9894707 911.4994967 165.6332767 265.8064554 429.1341267 135.5831728 860.9155895 395.9836246 1216.17614 305.7635495 261.2891425 2012.981395 0 531.9564443 3375.423932 2408.861304 2032.219874 141.2731956 2264.899187 0 19369.09623 0 50.19451272 78.5587244 21.57268096 65.48765801 20.98283921 51.92090361 26.92161419 148.1085512 29.33638034 42.49081975 45.43038398 27.11469618 30.97077362 Cytosine 0.129142491 0.140692261 0.106857619 0.108789119 0.188409551 0.097428145 0.092466059 0.156632037 0.109914919 0.125981641 0.274225893 0.092651875 0.012369203 0.013175166 0.024045911 0.010009557 0.009338455 0.012559683 0.010266465 0.017102392 0.011037075 0.016571429 0.010795315 0.013788585 1.400503921 1.262458217 1.382028829 0.965626918 1.314237304 1.404453433 1.559684274 1.317666533 1.344949723 1.608348138 1.346602854 2.670816878 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.023301539 0 0 0 0 0 0 0 0 0.006559372 0.015446305 0.009616232 0.007510132 0.008691084 0.004048031 0.00690789 0.007415197 0.004225061 0.007317657 0.005414527 0.01492619 0.004143411 Creatinine 5.609248277 4.412298604 3.233400591 5.549861388 3.928188006 7.707254302 2.791347361 4.301900494 3.469011241 7.421146803 5.553064407 5.284689059 1.057411177 1.88489168 1.415917104 1.540800414 1.066355441 1.398452826 0.90417382 1.018506884 1.084331104 1.460852349 1.275454479 1.716159257 0 7.588945515 0 0 0 0 5.676300047 1.406271367 0 13.79029293 3.32749872 0 2.608204506 4.186561697 3.706462339 4.711882455 4.397548532 2.985442863 3.643870716 2.714748061 4.17801054 4.381179836 1.928923555 6.73813293 6.27977901 0 0 0.146139921 0 0 1.108521293 0 0 5.636856561 4.61388813 2.995718942 2.851205897 0 0.471823057 0.508479825 0.267441441 0.595450504 0.512198601 0.241009675 0.352564856 0.460200393 1.327097442 0.608782368 0.208914598 1.216588167 0.260811844 Allantoin 226.6930539 216.2658466 298.1798228 137.9815288 164.6564498 190.3252177 132.212454 152.8399724 116.446397 250.1294234 240.8696147 155.8613137 15.18332109 8.180548019 21.40310803 16.21624624 2.459995606 14.08063399 12.14462806 17.36002465 14.26516889 11.90589689 7.257267112 0 0 2704.372649 0 0 0 274.6656907 239.6553016 0 741.0158612 0 0 1233.49705 509.2225365 697.4943061 549.0576479 553.3736065 603.8891301 691.4789122 386.3801917 594.0723789 430.0102382 326.0348164 450.5191549 394.2223437 501.8805361 1614.726913 4950.403999 2439.021023 1724.687439 1388.272922 1327.96637 553.1351835 2470.035648 2906.465575 2013.196729 4022.934953 1666.033533 2391.741722 46.35964512 42.7604318 58.1162468 44.46836483 66.97054457 56.16381141 34.82481571 57.51859806 60.4305535 50.64373123 47.9411119 62.56602283 41.210613 2-Deoxy-ribose 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.184128562 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.371122037 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Homocysteine 0.877583148 0 0 12.12659868 0.439164664 0.489111852 0.442782346 13.15665968 3.889373924 0.431490244 3.959094947 0 1.353356752 3.324483972 0 0.646358116 3.541624592 1.069907064 2.462612148 1.620254837 1.326933556 0 0 0.199572683 7.867877837 33.79356473 18.48546479 2.626297055 8.59324895 242.370674 5.088738771 0 0.540781062 0 0 0 0 0 0 9.189114223 0 16.75655757 37.41548729 0 0 153.5488417 0 13.67928749 1768.690804 48.19279901 89.93549397 40.94910835 0 0 0 3610.822009 0 0 83.38570151 24.27017891 43.0117576 0 0 0.328251074 0.117698044 0 0.085373859 0.179197586 0.234663858 3.572197726 0.016968742 0 0 0 Homocystine 0.014768742 0.014105745 0.013418254 0.016911388 0.014703999 0.013693549 0.014096225 0.014187121 0.013490582 0.013559135 0.013552543 0.014301947 0.001360436 0.00134406 0.001523377 0.001379757 0.001389467 0.001473687 0.001353001 0.00162485 0.001375658 0.001502234 0.001354993 0.001349104 0.138264621 0.147457737 0.135911603 0.152848144 0.135509401 0.159875157 0.141054187 0.164287985 0.138088421 0.142262629 0.13508115 0.152838988 0.011140396 0.010564153 0.017209753 0.01441726 0.012179298 0.010760406 0.01392553 0.018407321 0.011753658 0.011936058 0.011498772 0.010421339 0.014856268 0.115251058 0.112558804 0.111029676 0.110207683 0.110087477 0.11865676 0.154995983 0.115905713 0.127842523 0.109568993 0.108366715 0.117991915 0.128288704 0.001501844 0.00133965 0.001273067 0.001368227 0.00148161 0.001536226 0.001334536 0.001378828 0.001338853 0.001511771 0.001260121 0.001488718 0.001494199 Valine 253.9313945 221.4831496 251.2353377 190.685046 234.1491001 174.0171015 241.2868997 202.1215468 248.3140887 246.8859701 263.2307976 208.975133 85.50531374 81.48740646 92.13716722 58.31242741 85.19127674 66.73385986 82.16695686 66.707177 91.17699372 75.48631597 85.55589025 72.03440962 289.3549773 271.2034346 316.1818395 254.7277021 279.6422892 226.8624416 398.0334613 221.0883662 262.7301631 367.8090729 367.4871653 280.2681482 176.1835837 176.9188616 172.2846451 181.2147765 174.0283671 169.1097164 165.600046 169.1256802 170.2969012 166.0134153 157.5415956 251.3059978 161.4559029 384.7856646 370.6726556 522.8374396 412.8885532 464.8691644 324.3203657 543.9762811 497.647404 469.135458 545.8651031 479.5552207 691.1212668 370.8048421 41.7249431 38.52151242 42.82573185 38.77332901 41.20521393 44.68805384 42.71666939 39.87362794 43.96752177 40.0877602 54.54251886 39.20714532 28.06182033 Uracil 0.262391616 0.296012715 0.15779009 0.410716349 0.292171803 0.216522207 0.21121385 0.437438913 0.245799547 0.474756902 0.299289088 0.345233938 0.171981436 0.153237442 0.100327651 0.225379461 0.137819782 0.12499024 0.137988557 0.264820394 0.139164516 0.252364703 0.09175059 0.187223782 0.378995395 0.291306 0.383233131 0.332750774 0.259237258 0.34977961 0.124123158 0.385865112 0.544773137 0.374177583 0.855588048 0.28097488 2.210760712 1.638682904 1.864125469 1.9550635 1.817134897 1.684341563 1.940464866 1.787403739 1.846281558 1.650611331 1.490494709 1.244112344 1.591348316 3.984539066 2.347977777 4.960996311 3.696192429 3.447847283 3.460683557 5.326496 4.006771206 4.748384511 4.87071988 4.200895139 3.826822223 3.221108331 0.544808621 0.515962872 0.607891347 0.525414683 0.647911391 0.600332981 0.688825701 0.3227137 0.636297199 0.499080733 0.436155545 0.516356422 0.458925146 O-Phosphorylethanolamine 6.670791277 13.68016206 10.12844223 14.12373622 6.884512299 13.09438193 8.977352861 13.69387838 8.596845988 13.08623678 11.89802636 13.48272651 6.415577137 8.3687893 5.77770276 6.4316171 5.190453456 7.32092248 5.394871252 5.680782218 5.656220971 8.266249212 6.128388543 8.979030269 44.00077984 40.35260997 37.62495556 42.37554924 39.56752072 45.48466697 45.04170799 37.53420661 40.3556638 39.582264 42.95262255 36.29882263 6.185412178 6.136017263 6.292752245 6.276626467 6.477075015 6.479512573 6.29026972 6.766977852 6.448583767 6.327163788 6.338460736 6.15297673 6.188437665 62.39362275 62.49475172 66.45053089 62.85735603 61.73647946 62.04865593 61.55981462 63.12663649 63.98972398 63.22947383 61.78460875 62.6291805 63.29322471 0.38613148 0.444846221 0.366701201 0.414404762 0.392348569 0.363817854 0.395965202 0.35882146 0.385254904 0.381504324 0.344953021 0.352125889 0.339792968 Cytidine 0 0 0 0.272086624 0 0 0.130088049 0.574568996 0 0.545702252 0.29488569 0 0.39059827 0.528003164 0.340242169 0.513586591 0.323871997 0.421649256 0.358993578 0.552362572 0.253842498 0.483183859 0.330862526 0.638865937 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01488942 0 0 0.003871939 0.00133032 0 0 0 0.00582789 0.013567954 0.182065225 0.030559094 0.001306892 Methionine 109.2640366 112.2257693 101.1220214 104.9269935 99.74461861 87.21496305 98.00707142 112.3777634 101.8765305 141.8620989 113.494911 107.6163001 71.73517723 72.52624296 71.41950549 59.94871814 69.71464658 55.41686231 68.22364062 64.20383018 70.83304927 72.94274177 71.34710041 69.73126501 95.77245934 114.3313547 110.00474 109.0515438 87.45868314 94.97415569 135.3231145 83.66997423 92.03919555 140.3184378 124.2373326 112.8741489 111.1617839 99.92871851 101.3950022 106.9426288 101.9387255 99.1375053 101.535176 96.07122534 102.0740901 95.91631834 100.1893885 145.348876 88.11249922 136.3911841 140.1854603 215.4666021 141.1025645 167.5572725 99.70202518 215.6293791 187.8302485 175.3419647 229.6348183 195.4607487 253.0686078 122.2076681 37.0569049 36.66797044 39.72529908 39.11358815 40.24034045 37.14368085 42.5166956 26.06549845 38.55755325 36.77561139 46.44300921 36.87780889 35.61586926 Hypoxanthine 444.4554265 466.5206913 203.6745856 427.5013092 442.1450366 327.2881338 369.7539559 465.3256872 166.2132833 850.655729 508.7675794 605.5355726 349.0985267 300.8081838 91.22173678 284.6801535 391.670653 151.6745904 216.2427915 189.4066157 70.91009098 521.0051437 361.3582999 265.4904324 350.7492492 210.6464918 188.3797961 744.6959447 499.9491705 17.85060778 38.39979754 339.6990433 250.4863843 545.6878997 179.6855579 407.4411546 44.15018068 1.455090629 19.16388928 0 25.72585147 0 0 6.926013929 47.55917068 20.34599825 35.72445054 1021.380206 4.380341608 14.09830256 0 260.5749326 0 0 0 0 0 0 0 0 481.0467801 0 14.26430263 6.896278205 13.47395748 18.58446022 17.9011939 0 10.54705438 0.141236735 16.22972608 17.24328625 661.349964 25.08907499 18.01867076 2-Deoxycytidine 0.407550616 0 0 0 3.71110734 0 2.042888015 4.717456811 0 0 0 0 0.5862429 0.768993278 0.538135958 0.760214696 0.476250355 1.120762554 0.855633693 1.155214565 0.547325857 0.678488409 0.673150465 0.761915919 0 0 0 0 0 0 0 0 0 0 0 0 13.01604702 4.905233353 7.316197525 7.53787172 18.34361988 10.95105824 12.31084736 7.535054448 4.973477288 7.895881652 5.848089953 11.66709434 6.039179109 17.74264467 49.55209387 23.19331548 36.32387244 13.0730795 24.27334644 33.07539551 28.99508018 39.10284064 21.85367388 34.87702521 46.80333357 16.34030803 1.223768252 0.217744669 0.313943524 0.595458389 0.36815287 0.490621786 0.328771213 0.891675039 0.635132809 0.556510502 0.473498771 0.565426927 0.678909052 Guanine 2.031305555 2.032085821 0.781825588 2.501621937 1.292163778 1.567551586 0.703869973 1.924429782 0.852398541 2.852867853 1.159801411 1.564900667 2.201134367 1.998134257 1.310949244 1.958115995 1.568427045 1.470869116 1.68505698 2.110532002 1.306439294 2.232569086 1.455649911 2.23829745 2.39811516 4.093411603 1.992457955 2.233597668 1.949409027 1.515560714 1.87431668 1.868953962 2.062888791 5.087859353 3.017499407 3.10285535 0.033482685 0.028244145 0.022971071 0.05945617 0.019477382 0.013277447 0.055346643 0.059014478 0.016820967 0.034401687 0.036129731 0.008836327 0.008808594 0.135688371 0.354033965 0.341033985 0.141319778 0.094849264 0.267472524 0.101581295 0.387076548 0.092234672 0.390144238 0.440023438 0.206155084 0.087598243 0.024868081 0.007663614 0.016719999 0.016636488 0.008748093 0.006790111 0.009319671 0.005448216 0.01010924 0.007863114 0.005925446 0.005296072 0.00632057 Xanthine 1.796787529 4.076541723 2.903849078 2.643889599 2.821562946 1.927342251 1.994799628 3.711243895 3.031069282 4.604467037 2.314319418 1.435253104 5.294916242 6.840824833 4.778793656 3.529054337 6.42122973 3.660581127 6.538852659 6.850005301 5.104158871 6.906073993 3.501655596 5.152056008 4.071984066 3.904507466 3.146020385 2.459281388 1.714204772 1.92985273 2.327026145 2.300144078 1.048330747 5.348834214 3.29677288 4.082603611 1.301941719 3.73420099 0.921058645 1.768877988 0.956975352 2.362075452 1.023764193 2.552368465 1.093438444 1.414824053 1.021180156 24.20504371 2.140641876 0.564745518 4.181854577 0.764884432 2.207657868 1.19364085 1.886277385 0.939982985 3.489953424 1.876148545 0.879723427 2.112865295 27.53042019 0.695557807 0.733053157 2.655890421 0.782099334 1.670329518 0.732232619 1.738661265 0.893365659 1.665236628 0.72568087 1.72444085 16.73674705 0.696714979 1.965121604 Isoleucine 312.4856956 249.7398204 268.6206383 276.8816421 270.6477594 238.6055226 294.6812487 271.6694083 315.2864091 351.6367141 188.1147818 276.4635406 169.7819883 146.784746 171.4101363 134.7919318 166.8528286 127.7470797 165.9961121 155.8346978 169.209007 164.639814 171.5781019 157.4346756 294.2747688 213.6996133 131.4176938 281.0940227 220.4953297 86.09093441 263.7471823 49.06017274 0 317.4745592 243.7314696 214.8852082 445.8399967 423.8253229 383.7594805 408.6254143 388.7466531 396.2800284 385.6118471 349.9271628 417.1097265 400.3635543 393.9711564 668.2051718 383.4949298 512.5938584 532.0471224 721.3731618 234.3001867 618.0612678 229.7409447 863.5775616 806.0019067 615.7932187 707.0414779 574.6897898 1090.469283 471.3530003 134.883672 134.077518 148.4710512 146.1316778 144.8600352 136.4454558 131.0806361 111.5408892 133.7784574 131.2647298 178.0919741 130.9691478 141.9827398 Tyrosine 206.5833053 176.1670118 187.3984821 161.8219376 184.8429348 137.9039295 180.4842048 184.3400705 187.5590968 224.8398922 214.6434802 175.2854894 138.4381624 119.4422542 137.1198769 113.5310784 143.649356 96.28139217 131.6643304 121.4543963 136.5361759 131.6607121 144.1541669 123.8833461 180.9182148 207.1228233 227.8309882 190.3362548 193.8473844 168.044467 271.8373326 150.9751872 182.5294232 241.6932713 262.1405231 195.7688001 238.2897874 215.0645172 218.4591636 240.6175301 217.2237157 224.3291713 222.1447463 207.458192 223.3077458 216.4827924 211.6106426 329.8685925 199.8195826 261.3498771 253.9766246 418.150699 276.824593 363.0236928 220.7943205 452.4803714 385.2631272 343.4665971 456.6890065 383.1665602 461.8438934 232.1432787 114.1488008 114.521951 116.2551227 121.1227583 114.0960143 107.7105698 118.4788068 100.4329156 112.6112666 115.5199231 134.2519001 115.5583048 115.3226962 Uridine 3.242714216 3.995664217 2.061266142 4.880941928 2.169460109 3.839750229 2.480839536 4.93256306 2.259411677 6.006271772 2.581705437 4.687773574 3.221408556 3.596946955 2.441912955 4.398348976 2.680059398 3.506737243 2.648765745 4.874493816 2.429542953 4.995456398 2.578968603 4.998807483 2.065179666 4.049240007 1.500687165 5.031669956 1.583923076 3.763617031 2.656106595 2.813077464 0.35769933 4.769809078 1.591965604 4.773032265 0.630895816 0.277568302 0.59416353 0.457447545 0.583112334 0.346405133 0.665499046 0.362603962 0.526762165 0.413177206 0.616909733 0.709125852 0.28321997 1.425092149 1.311471446 2.104941584 1.198931869 1.573003067 1.328721211 1.255058153 1.172317546 1.814849033 1.434495946 2.322823238 1.535241633 1.402397559 0.29726818 0.170334449 0.329186202 0.224094112 0.351239376 0.17703187 0.38188752 0.160091479 0.318129354 0.221097247 0.403957314 0.304543232 0.219641141 AICAR 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.001973674 0 0 0 0.029293048 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.14204533 0.217364655 0.135550493 0.062049425 0.084128568 0.095104805 0.149434824 0.17171401 0.308444039 0.12313049 0.104831676 0.07219739 0.153763523 0.488136423 0.92242117 0.765788064 0.767265905 0.577367083 0.687286676 1.409520654 0.509971336 0.930303521 1.197218976 0.621143414 0.589785961 0.733588709 0 0 0.018046676 0.014161702 0 0.001889433 0.005198797 0 0 0.032191004 0 0 0.011179548 Leucine 305.2945713 251.7431128 283.3591168 235.2389617 278.9114242 214.4840229 274.0091518 284.7282421 264.0041897 332.0174519 313.9271103 266.5712321 160.9628791 135.2356777 154.6920519 144.7560513 167.9983559 120.3005723 155.0702431 155.7851303 142.5201708 151.3821576 168.8409764 152.8006727 310.4259609 218.9515038 100.2365734 119.2141408 225.0533665 165.0126766 237.8370145 287.6156951 248.8225498 352.6440624 344.4584574 272.5414577 407.2074992 370.1907635 375.0734939 412.9886264 391.5655761 369.3589265 380.5381554 362.8381217 365.0033144 360.0640438 390.5000643 684.546743 366.2161302 523.9848444 481.2439912 731.1200705 483.7098431 538.281839 376.3483816 808.4254367 630.4900306 699.8275362 771.1280025 460.4208405 1166.059968 471.2351562 186.5202624 176.5740391 177.9473088 179.1410299 182.2730504 167.2703979 184.5858472 163.9064759 158.0342539 184.1483067 226.3573487 183.2757926 184.3690833 Pyridoxine 1.586226442 1.284367872 1.107662576 2.225379285 1.474529798 1.275139767 1.385054109 2.858755836 1.228813766 2.654144333 1.503001194 1.757160054 2.006017595 1.318775061 1.374546717 2.716949095 2.050168503 1.484229977 1.61450166 3.202981294 1.633600455 2.877454183 1.658271454 1.975210059 0.890292759 0.835331062 0.841075004 2.302655707 1.011878781 1.159934894 1.829146534 1.93288594 1.186895713 3.170094619 1.418928154 1.210440064 14.73134963 13.58315668 13.2289089 14.95400884 13.03496596 13.96384001 13.32096135 13.18251155 13.46998892 13.60414445 13.36495063 21.48163815 12.25998354 15.0902461 15.86598971 24.13444198 16.20415192 19.44933808 12.02507039 25.98672896 22.55401215 19.71678427 26.61275752 20.75842894 24.85889869 14.19473843 13.45830494 12.23050503 13.47870634 13.2581536 13.47368129 12.3819505 13.71651017 12.75559457 13.32703188 13.41691046 18.97535256 13.43631318 12.92760007 Pyridoxal 0.04491355 0.05628116 0.070238159 0.118603578 0.085715792 0.039465026 0.072413656 0.118128813 0.046336112 0.137343421 0.037137825 0.066278828 0.114888815 0.076164334 0.083742499 0.127498332 0.109318077 0.081799943 0.101925787 0.144211934 0.091941442 0.159268103 0.107941405 0.107471821 0.119839879 0.036496149 0.091493602 0.212280383 0.109871414 0.130982194 0.065416087 0.084043537 0.041815106 0.071876525 0.041539281 0.147437055 0.706110318 0.539652313 0.727938785 0.721351845 0.62989522 0.596680194 0.702271239 0.571088345 0.719378651 0.614698095 0.71854477 0.313469745 0.548079807 0.864414144 0.490202982 1.310595657 0.87616823 1.08888908 0.416804296 1.353198223 0.923080622 1.353885158 1.211395855 1.426863526 0.281486431 0.669845773 0.68630475 0.506896683 0.674533346 0.617546537 0.694939742 0.545950764 0.731023329 0.546953251 0.713102356 0.623137528 0.270728261 0.727429196 0.58260957 2-Deoxyuridine 0 5.49391E-05 0.004631962 0 0.006886756 0.003769585 0.01783323 0 0.007991068 0.0054499 0 0 0.019591987 0.008540976 0.00457532 0.01735149 0.019980294 0.015005784 0.021631681 0.020571685 0.022277903 0.011184077 0.023069355 0.015040778 0.082573269 0 0 0.033741945 0 0 0 0 0 0 0.081005827 0 0.186383703 0.100195434 0.11543559 0.038196042 0.199507108 0.075088672 0.134985705 0.072978906 0.203862498 0.062258781 0.17704472 0.342981393 0.043113583 0.499549763 0.363668962 0.555098618 0.303024812 0.587753186 0.351247713 0.516191934 0.231544503 0.378369276 0.269058019 0.211857403 0.689715326 0.248135422 0.150524178 0.062682705 0.145831597 0.07364181 0.152537509 0.075530566 0.145123375 0.064315558 0.138638339 0.068771387 0.213718116 0.15637931 0.074945164 Thymine 0 0 0 0 0 0 0 0 0 0 0 0 0.00702661 0.006477727 0.003521538 0.011629313 0.008833336 0.005003352 0.00657284 0.014851392 0.005724891 0.011616562 0.004247179 0.008208211 0 0 0 0 0 0 0 0 0 0 0 0 0.108614848 0.068986501 0.05397634 0.06345499 0.094013707 0.050787657 0.104907831 0.058101296 0.083617466 0.080557119 0.037003844 0.022182259 0.024663387 0.155606944 0.112048064 0.276710302 0.235106504 0.240670236 0.086091142 0.21051333 0.140016021 0.186618111 0.303845081 0.235578879 0.153020986 0.204417812 0.065499071 0.043981136 0.057057258 0.054161904 0.068611702 0.051196702 0.078492828 0.038986728 0.06497379 0.054375252 0.02063916 0.068483977 0.04010174 Adenine 0.078279257 0.07184429 0.066315071 0.073543642 0.068232164 0.063591284 0.051421847 0.085122883 0.034231932 0.066974001 0.078572555 0.077413817 0.053671048 0.054830214 0.034620347 0.077250649 0.02905809 0.054078759 0.059440861 0.089706636 0.030938588 0.072440697 0.051335754 0.065079587 0.569830874 0.597799485 1.202192198 0.498058417 0.990071664 0.79416045 0.33673818 0.54284827 0.811984898 0.836377409 0.436522223 0.092798818 0.08207647 0.097347243 0.091890881 0.076467713 0.071835 0.1023611 0.086747244 0.11900383 0.092594566 0.087570675 0.065008928 0.083448019 0.909271209 0.952215814 0.811290441 1.469472397 0.79480555 0.719525362 0.746980001 0.823792581 1.047126414 0.841374921 1.004228474 0.824075195 0.010823284 0.010802056 0.014701005 0.009885399 0.012392155 0.007849439 0.008936808 0.010173897 0.013449539 0.009894768 0.017224204 0.009480862 0.00649452 Inosine 17.24894182 15.9722832 13.3606261 17.11209894 12.36907396 17.1525709 13.74993672 19.3189552 11.64229177 21.57773856 15.24960186 20.38605093 23.98946758 18.48474654 19.46407334 20.50115694 18.16216979 20.13031602 19.38953122 22.948548 16.94826572 22.88557773 19.20775539 25.55383401 7.111568896 9.449259366 9.343909202 11.23440513 9.018497398 6.93832946 13.72808986 9.529870234 7.839758737 18.54194613 10.698211 13.73618182 0.185086793 0.164285145 0.182087043 0.19165064 0.204233032 0.180948235 0.197949944 0.182555827 0.20996833 0.19445032 0.137506586 0.177603616 0.194593958 1.38768975 1.310384662 1.499683856 1.332676618 1.319780599 1.278738971 1.339052235 1.290898161 1.310683676 1.442912115 1.325400589 1.42953617 1.412000064 0.062665012 0.041301385 0.06321675 0.050547842 0.055163527 0.044239932 0.059728591 0.045290256 0.061541744 0.054673073 0.037880037 0.070690864 0.048782968 2-Deoxyinosine 306.5034589 328.1820592 199.5289158 368.0127911 1221.530196 1057.2931 0 258.1654517 0 342.3808786 233.8545012 487.8621973 1416.263648 2714.939935 97.85854043 2417.434527 414.4612373 441.7257897 100.2434574 3144.05934 25.45873083 3405.452423 130.4304274 2166.825568 0 0 0 0 670.8277878 0 0 1143.832009 0 1691.585253 0 0 126.4599679 70.95102689 112.0254184 380.1927291 79.57602226 0 545.2395109 0 0 299.8932145 213.7403498 100.0591365 9.591684914 0 1105.521102 1910.989899 894.6929873 0 2478.970244 0 0 0 783.5615098 0 2143.354773 764.9381611 17.59819526 7.787312077 19.53694197 87.05743839 6.512295329 26.75209293 0 38.94765068 44.80518148 24.71277991 1.517393637 45.28159067 15.91700579 Guanosine 1.349873782 2.101180777 1.001541598 2.992899699 1.167451652 1.851642678 1.55783842 3.362133087 0.933534352 3.625415327 1.304193592 2.97518962 1.596470585 2.110845708 1.10707303 3.028644866 1.375843813 1.94922668 1.577813236 3.527050016 1.039107632 3.402461487 1.259306546 3.22846388 2.341993485 2.746419654 1.554942594 3.76774861 1.829165932 3.005988914 2.595454214 3.633605128 1.328076767 4.473218348 2.31547857 3.838697348 0.071722927 0.054957479 0.050876154 0.066486349 0.060700761 0.051536165 0.050945959 0.056961422 0.075680487 0.062644392 0.055592595 0.050716424 0.054358416 0.524124348 0.511695035 0.581246991 0.493722412 0.617325163 0.52467305 0.514731955 0.520916659 0.535100478 0.591103332 0.50976987 0.540171587 0.536476462 0.004613447 0.005283927 0.00611567 0.008174145 0.003193497 0.00360997 0.008009396 0.007398785 0.0039534 0.003985532 0.003639702 0.012553237 0.006330386 Kynurenine 1.104194555 0.922045465 1.123252512 1.105818733 1.200164044 0.760592896 1.207024282 1.201133041 1.351541555 1.502272705 1.303016885 1.146547696 1.749971339 1.216228486 1.528852164 1.207225694 1.732415885 0.959060501 1.363203797 1.289691071 1.611144796 1.532975373 1.551817493 1.282706488 0 0 0 0 0 0 1.031275612 0 0 0 0 0 2.069458133 2.176983071 1.819368182 2.617614388 1.811311966 2.245635335 2.199247125 2.022670119 2.101017324 1.882006663 1.909958634 2.704031754 1.88545407 1.731396571 3.883493579 2.52638904 2.023638237 2.761739546 2.904158502 3.59043839 5.936985699 2.974381202 4.406908092 4.876727228 3.102498273 3.154555318 1.563493515 1.424208072 1.516225814 1.5941332 1.480972906 1.366900233 1.473420935 1.407827679 1.543495949 1.439945239 1.804133572 1.463496341 1.441450894 2-Deoxyguanosine 0 0 0 0 0 0 0 0 0 0 0 0 0 0.002978863 0 0.00927312 0 0 0 0.010436957 0 0.009251262 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.149961726 0.152829425 0.195367427 0.188294727 0.177284971 0.143802427 0.177109569 0.184727548 0.156125125 0.16269891 0.16487684 0.197026882 0.141722575 1.893554543 1.48157764 1.902396966 1.557216077 1.901063415 1.470954757 1.907036763 1.871440244 1.595131811 1.524041275 1.535386514 0 0 0 0 0 0 0 0 0 0 0 0 0 2-Aminoadipic acid 1.051733447 2.138343065 1.313370875 1.883719927 1.235424962 2.010065614 1.042971019 1.950800594 1.451641326 2.201792163 0.923402395 2.100396336 1.392116928 1.700410026 1.082297533 1.418193462 1.251994342 1.443997935 1.038299437 1.534598995 1.247390431 1.786372847 1.063737999 1.609337023 0 1.331733341 0 0.535632346 0 0 0.758811285 0 0 0 0 3.813965928 0.851927888 1.025354609 0.947194054 1.015908939 0.754704618 0.656704961 0.835846468 1.009686476 1.046444085 0.388682683 1.138992977 1.658395398 1.190033513 1.600511948 3.309453672 2.605294304 0.5514389 3.429955473 1.293214002 2.119021377 3.818990169 1.724538228 4.614968957 3.92674785 6.109307638 2.065818737 0.665910604 0.586116129 0.611565174 0.645154446 0.641164011 0.562336695 0.689781278 0.589025404 0.62230813 0.628611092 1.078871072 0.624905648 0.568262459 Phenylalanine 176.0633069 148.324139 165.1836733 141.458537 162.7983391 120.9948124 163.4041123 161.3356244 167.9822356 193.690453 184.6060895 149.2090506 62.76791362 43.25002701 60.89912563 51.79758266 60.99807931 37.84168585 62.95671026 48.85221637 59.49896923 53.29928066 71.66969805 46.29910152 184.6534116 189.3843082 207.7107815 179.5673044 183.3584749 157.1605265 252.6294273 150.3887651 172.6583756 241.8516452 240.2476321 187.6752806 243.684573 232.4847036 227.4192776 250.3543347 225.470979 231.729836 224.7072356 222.9653213 229.3953981 225.3421739 224.2543426 370.217852 207.8409754 288.6709169 287.1524737 460.4901929 308.4195884 360.2257565 218.5954159 474.236906 395.9204215 360.3246341 486.4130205 397.6833156 502.8612457 248.082594 114.7914262 120.5902486 117.2536747 122.4553308 113.659911 115.7337902 116.1678964 119.8874189 112.1548172 121.6111878 189.7679246 115.6370981 120.9767053 Glutamic acid 303.1488306 363.1730301 285.7661358 345.7613251 281.3460338 332.6496048 274.115212 354.627071 295.761842 407.7023428 317.9296857 380.2877319 151.2686426 152.8004111 151.4879189 173.3194634 152.7843311 143.5655883 149.4100526 153.2890816 153.811338 154.3727205 163.6017007 182.4379137 371.5980117 555.2692937 423.629047 537.95488 382.9734711 521.461371 501.3859071 407.7282348 362.096135 635.5301188 483.3447748 592.5897046 151.1157352 104.5605466 141.0395069 123.6757934 139.8165342 109.3929697 142.7655882 102.1874329 146.7775173 110.7441763 143.5052545 57.58847452 100.0617669 185.0107788 132.5080393 298.1143944 154.1292348 239.802269 106.8058628 316.0993661 186.6180882 238.456353 244.2124426 265.7276608 74.4888689 122.7072402 76.90113026 59.89302681 74.73286301 65.91051921 73.88140518 57.76615872 76.41261987 61.86475391 74.53479984 63.42456617 36.17332739 75.06420386 61.73354485 Aspartic Acid 30.5491282 61.23706342 29.7746166 57.41230183 28.28469465 58.32147197 28.32788514 55.94024339 31.21596326 62.6102027 30.20014318 63.99775814 18.45523039 30.21580031 18.76817069 31.25209376 18.41059199 29.18196674 17.73422684 28.17637912 19.31237655 27.8675768 17.44658876 33.55503055 29.69377195 79.04097282 36.23524857 75.2564385 31.24522688 78.76851935 42.76477452 52.77407686 31.24694225 79.19702015 37.08303393 83.10094729 13.88922824 8.380061663 12.56059962 10.51745277 12.50021519 8.958851611 12.95987483 8.07677096 12.9758365 9.285118852 13.10083747 2.964067721 7.995046335 5.920149282 0.326291616 15.46381826 3.408507553 11.51844374 0 23.79086037 5.598743483 10.46280472 11.26192417 13.58152357 0 0 9.6699375 6.587031915 9.276577614 7.678576938 9.032622996 6.690126781 9.386251056 6.63655726 9.098179194 7.377525982 3.000462232 9.09537394 6.846972557 S-5-Adenosyl-L-homocysteine 4.980079987 3.276272209 3.067398021 3.396731968 4.412281338 4.257745452 2.711113904 3.076524683 2.478036441 4.86143936 3.616263348 4.511298628 4.434989205 3.56426763 2.513727451 4.728524357 2.905661539 3.515012156 3.056514107 4.890437334 3.158649176 4.547120211 2.858176838 5.273665763 22.29101648 22.25612735 23.37978769 22.13269027 22.65216554 22.88887019 22.24893838 22.48745565 22.11208962 23.01177652 23.04303101 25.61707152 0.875314533 0.84497441 0.850378107 0.849726699 0.868063654 0.866200895 0.845134089 0.84072968 0.870895802 0.859419152 0.833907755 0.84454868 0.846430764 9.125941747 8.339063437 8.5382689 8.333984153 8.525609499 8.433209576 8.332391007 8.335914249 8.570666043 8.356045703 8.370285592 8.324882462 8.342545587 0.063055413 0.061527263 0.06119137 0.067080222 0.064575494 0.060551952 0.060138033 0.060239855 0.060718037 0.060677315 0.060690106 0.060467793 0.061976181 4-Hydroxyglutamic acid 3857.458939 6590.716272 1808.110879 7313.578197 4264.287632 7361.49746 1934.670431 7899.615445 4971.738902 8796.956515 5187.187423 8623.097575 4740.938866 4660.349575 4106.43798 5541.184471 4308.027094 5469.808251 3976.222733 5640.598522 4466.356537 5320.189176 4023.366839 6290.774983 2474.518172 6662.381065 1091.200202 9173.197446 1340.791682 3332.006017 2908.474735 930.6264695 1355.837796 3783.569838 1777.557441 6907.85007 14435.37673 13491.2067 14662.78487 15316.51958 8728.997403 3097.429199 2027.161135 14140.39331 4224.251707 8917.120832 14498.49086 22472.84874 4324.220087 0 1067.913682 22505.47361 15340.63516 11418.91158 2407.142354 4350.824011 1091.038226 4538.162936 5142.375568 8453.219129 28997.2029 2526.243779 7897.400587 7023.838923 7627.378479 7881.760206 7352.882764 7272.862071 7518.725222 7201.768997 7572.046169 7571.055094 11788.45962 7339.115237 7160.009196 Thymidine 0.043812941 0.002833622 0 0.074355517 0.044869509 0.041766222 0.010906529 0.099187861 0.009185665 0 0.053320223 0 0.140611364 0.068362517 0.088498467 0.083601347 0.113699766 0.092702044 0.106014467 0.087451047 0.103996048 0.092648215 0.081746093 0.085600727 0 0 0 0.279249475 0 0.0584548 0 0 0 0 0 0 0.203489133 0.05474663 0.231766318 0.183396434 0.238410847 0.098902885 0.595616323 0.12359669 0.263307387 0.130735191 0.123967748 0.474466738 0.075644422 0.824196725 0.550523686 0.867656718 0.635753907 1.287353616 0.739598689 0.932861764 1.042742073 0.597895634 0.820353654 0.888736101 1.071319564 0.79399559 0.16386565 0.016523207 0.151700607 0.041829058 0.162697028 0.041953093 0.175450454 0.021754829 0.183833703 0.039817003 0.389215042 0.168309934 0.030203964 Uric acid 23.33530814 21.92012395 17.50708849 29.82095844 21.39462636 18.97805995 19.60753927 32.37205484 20.46291926 37.82477156 21.1494801 24.27734512 10.62203323 15.18308363 9.120167954 12.66561787 13.92617612 8.047540178 9.621902711 16.47069961 9.732127562 17.43854745 9.581682004 10.21382088 21.29516994 29.4790469 20.6199436 37.61768768 27.81334157 25.97163515 36.57709493 31.37882699 21.03352675 40.83885111 24.43787912 32.57821052 129.3395152 105.3123284 115.0622603 120.1201113 118.4065846 116.4457833 118.4612878 103.944601 118.4626412 110.6938633 117.2196987 93.30967307 99.87072332 150.3201526 136.6261925 223.9754974 151.9442907 187.2394121 114.3056754 244.0144005 187.8342578 186.4107424 230.2701874 202.5968394 127.0617657 122.8225652 91.91079291 59.69435582 87.16702324 70.74958326 95.80119075 70.62333205 90.70751649 66.19724658 93.07730717 64.31645502 23.4307684 91.26151268 63.98302649 Galactonic acid 2.284379601 7.217231139 2.143685563 7.782004076 1.760903501 7.6247524 1.708028375 6.973737124 2.000273692 7.700014428 2.452170799 8.534650317 2.39014892 6.340854873 2.51293304 6.974876592 2.703858605 6.328247365 2.162362884 6.489176614 2.52262798 6.438717638 2.71843128 7.289295413 0 2.616006088 0 3.715361013 0 3.722714922 0 0.613494276 0 3.04249337 0 4.895422924 1.805046452 1.344664104 1.397755657 1.534073024 1.41656077 1.338042688 1.437131496 1.094715579 1.395635027 1.226486393 1.432967174 1.383203224 1.093620726 0 0 0.854762111 0 0.320969327 0 1.090059291 0 0 0.750261825 0.503832852 0 0 1.669854014 1.356926854 1.607543441 1.532612224 1.590943143 1.372123284 1.659633399 1.410491788 1.559536435 1.53039778 1.567475089 1.57827788 1.420055023 Gluconic acid 0.468180124 1.73287993 0.395912681 1.715340854 0 1.767015637 0.035738003 1.646430037 0.480399895 1.755487773 0.561989753 1.851424878 0.653858274 1.583286008 0.658931766 1.722811607 0.720086733 1.571268299 0.576649028 1.618342743 0.656216839 1.607888131 0.705081317 1.756550175 0 0 0 0 0 0.523775226 0 0 0 0.29648529 0 0 0.963509405 0.612120852 0.571106515 0.748008941 0.586010027 0.81319785 0.624857064 0.637814644 0.624941884 0.592075827 0.652884214 0.860708906 0.621377864 0 0 0.017568859 0 0 0 0 0 0 0 0 0 0 0.805323111 0.752812278 0.828540413 0.836456317 0.812606508 0.74788957 0.862753768 0.752750636 0.816830375 0.816942445 1.029981673 0.836033987 0.774829664 Glyceric acid 1.532187355 1.772841279 0.930141672 2.78617367 1.620508708 1.749627367 0.293522756 3.295244089 1.637656605 3.474654877 1.354578826 2.587143852 1.351559832 1.024414813 0.676038744 1.260297366 1.015470233 0.811453572 0.720982945 1.534298638 0.792735524 1.505682244 0.865915938 1.062559559 0 0 0 0 0 0 0 0 0 0 0 0 12.29038083 10.02948969 11.42285825 11.53016683 10.65287982 10.51786952 10.52240364 9.52120748 11.10994407 9.725375275 11.22350846 11.27423014 8.867981182 15.57815595 10.20390832 23.75292995 17.38056925 9.460501902 12.45130805 25.71606715 20.43104377 9.480471257 17.57096383 20.87939367 20.73242641 12.51387829 10.78716682 9.053250024 10.60699029 9.790627378 10.35728447 8.93313591 10.55109986 9.038514489 10.30232733 9.684111282 10.48344155 10.29574362 9.219782029 Quinic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4.6463923 0 0.072512509 0 0 0 0.002598122 0 0 0.025346508 0 0 0.007518554 0 0 0 0 N-Acetylneuraminic acid 29.07872404 18.43790107 28.71403118 14.88933534 26.67864623 16.07476668 25.04341892 19.11851303 27.45681148 21.48117876 28.57991398 18.17342548 3.286201566 2.269917832 3.519559624 2.234445618 3.711230088 1.909996658 3.420768543 2.254675443 3.450100144 2.506512026 4.199132757 2.299286242 24.64705813 24.68384365 32.39989934 23.3845895 33.58034235 25.48247172 39.79027511 14.08135928 32.20304279 31.13415759 51.11469494 25.53555028 9.406648618 9.25118183 9.371084004 9.865640314 9.581244845 9.102470902 8.691156999 8.710566398 9.863585379 9.167884495 8.740054916 11.50614358 7.862167659 14.02631619 14.51338553 20.19305934 16.22734032 15.40794832 12.35104657 21.40683204 17.64028688 16.70049919 20.18149435 19.38093879 18.60962551 11.82286545 7.959930842 7.427998504 8.047840755 7.817100654 7.763292901 7.17021283 8.285173756 7.583936619 8.003406168 7.577526335 7.231909433 8.026557702 7.627516833 Adenosine 0.34986723 0.157882273 0.183385443 0.350228663 0.135220377 0.567952681 0.375306254 0.097280735 0.136222403 0.057992379 0.207785563 0.172084648 0.003830175 0.005701349 0.008854627 0.007447349 0.007222437 0.010120509 0.004501245 0.003679521 0.005829952 0.005971506 0.008826299 0.005991246 10.07585656 7.525091925 5.154145225 8.889321579 4.580084398 12.17485868 6.484761485 6.002603136 3.176058981 4.865599585 7.677354164 8.663194051 0.082055018 0.080323384 0.075393841 0.080801678 0.08130428 0.088616312 0.075309779 0.076820019 0.078195723 0.073585053 0.083085145 0.080363775 0.770085171 0.744285426 0.763272878 0.718000712 0.014243692 0.010103647 0.009357544 0.01021642 0.008484627 0.006462487 0.006233939 0.007458597 0.008918649 0.006880526 0.005791532 0.008841613 0.004834516 2-Deoxyadenosine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.04393272 0 0 0 0 0 0 0 0 0 0 0 0 2.611635836 2.15215611 2.404635377 2.177316217 2.188668853 2.272513298 2.250105417 2.468975478 2.194245454 2.410138242 2.193373045 2.12586123 2.398653796 22.09659081 21.54506295 21.7306567 22.20047871 23.42254023 22.54898809 22.6252806 22.97919308 22.44680021 24.06608026 24.30257638 35.67631145 23.89088182 0.178946962 0.071805794 0.469081935 0.096848425 0.164587898 0.546522305 0.188099695 0.125504551 0.134918913 0.041148208 0.129650968 0.006773128 0.090174966 O-Succinyl-L-homoserine 254.0395801 851.6064855 1111.507832 1135.914676 666.3391123 739.3316382 985.0229148 1196.362117 633.4025122 0 1056.359537 1133.788075 118.0517906 110.5765876 46.83553402 59.16073806 122.2737186 95.65899912 119.4169589 113.717713 32.4031672 124.2491618 57.77689719 74.47529229 5523.639793 9198.318584 0 7230.727889 11.33822532 0 9642.261657 4138.495763 2691.407753 11033.65954 0 9655.11072 168.3022611 563.8435754 277.091892 0 193.5528282 0 222.1520143 204.1854885 138.0157395 276.8967025 580.9611273 163.7694226 46.44088865 0 2574.097858 0 1438.909062 0 2830.712681 800.2211509 766.9440514 551.6678223 0 603.4813263 837.3469967 1491.766397 623.684708 573.7000659 61.56917347 789.9434275 623.3281439 924.2269968 482.8860191 942.6222086 569.446105 182.6623375 1940.192655 0 0 Creatine phosphate 3.335715488 5.854190726 11.96271946 144.8350352 4.734285725 92.62459387 247.1819546 185.3333988 6.184923313 68.77724175 7.865954447 6.462532332 6.661279563 1.137791069 0 67.26131447 0.24108809 1.044341164 0.188135157 8.230200815 25.24058415 0.388963111 0.809472269 0.978905496 0 190.60988 0 0 38.67610603 7.017191376 74.32024869 0 12.71088546 98.40308454 7.255084401 70.15050871 272.9131525 112.2676429 316.3497025 54.3367537 115.6796339 235.6908784 300.0785912 82.54451334 263.8905695 313.8070474 151.9729166 345.3272203 354.8574908 598.6327455 510.3420219 1563.156192 507.891211 441.9701322 80.62790146 113.6976375 15.5085278 809.7463437 281.2104791 1141.284716 451.4915954 12.11263843 13.95999769 18.17214468 22.90503141 43.89016835 15.40314207 22.92834229 7.559348168 26.34013861 17.5172812 4.118568075 29.12939623 20.31527048 25.19342292 Dihydroorotic acid 3.800262654 3.189198751 3.168562524 3.491312002 2.588435337 4.083448131 3.611219924 4.405186413 3.156184137 4.885845894 2.423978437 4.168111823 0.431929435 0.778359521 0.455908401 1.032938728 0.460487221 0.984876824 0.50880279 0.842884367 0.552461033 0.992523424 0.479892996 1.344418381 13.25916157 11.9039692 7.944456323 18.86015954 0.288629944 0 0.511682018 24.07750149 35.13268313 45.39002287 8.416827965 9.154881339 0.36605637 0 0 0 0 0 0 0 0 0.069626549 0 0 0.001219191 0 1.137656749 1.994619544 2.173911044 0 0 0 6.907736475 6.46678082 0 3.68018894 1.457874067 0 0 0 0 0 0 0 0 0 0 0.372795155 0 0 0 Lactic acid 615.5302128 527.0144413 512.8207966 667.3440662 606.8747752 531.5857377 580.2832079 717.7342202 536.9284183 723.3718389 580.6002585 583.8283118 69.71894117 62.01856662 73.13283535 66.92424979 74.21606554 68.56724954 62.4304361 76.99722342 63.16335735 77.21375807 75.68694894 61.12116908 1495.869475 1198.166135 1152.403748 2117.609609 1489.310762 1302.365872 1840.409087 1899.370508 1087.474596 2391.171041 1548.496573 1593.415492 973.908942 873.038127 952.9831081 926.9958475 983.9342833 886.385366 969.9410002 870.135673 963.6980425 888.868936 1014.778443 305.2533889 883.4411539 6292.295603 5549.800547 7447.949932 5890.252129 6828.729764 5036.811888 7932.158124 6271.323361 6954.97155 7096.952644 7342.816236 1071.179394 5343.108544 162.1084071 139.7135122 136.3815585 133.7306939 151.5944198 135.9903562 165.3585709 122.2068664 158.1576853 146.5581332 45.11847639 150.7165248 147.3563455 Glucose 6-phosphate 19.75935525 23.24486455 16.34665655 14.54793498 17.565349 14.99556371 15.88955207 24.08451454 16.32905854 37.82917412 21.10102615 22.71943305 0.596045601 1.183192911 3.451891096 1.035929203 0.838261521 0.747651087 0.882325178 1.03871039 0.845173717 1.573394434 5.373523801 1.826894012 29.80435792 36.8983789 26.97033463 30.07100065 27.43061132 27.4117236 31.73321719 35.72460077 24.7277738 67.67332637 37.59866035 39.28024387 0.087536373 0.038282505 0.054588516 0.079113607 0.04909428 0.041535661 0.040124177 0.061958679 0.042344436 0.04898557 0.038415039 0.098777295 0.033037074 0.246247441 0.541168554 0.481277841 0.157323555 0.885840788 0.268230085 0.654857676 0.245998178 0.470077654 0.376601481 0.37359864 0.239239804 0.246918751 0.057318273 0.034007142 0.035881177 0.045970755 0.038285724 0.034511338 0.041748776 0.028717511 0.039053271 0.041052205 0.029949339 0.036782863 0.029955865 Pyroglutamic acid 161.7916757 123.8348283 104.6176993 224.674678 146.8452193 149.8701441 140.6580804 263.7330798 119.2149906 252.9018851 132.5638337 168.8983835 66.77122916 57.73390883 56.98971304 81.53392047 66.48327903 61.02410844 60.48234585 86.75781539 58.55290525 78.63322648 61.40038718 68.7586225 3.646744357 0 0 197.2897254 0 56.08168103 61.12448985 104.3402023 0 219.413581 46.35200919 35.62598942 657.389809 620.4663509 645.2970477 686.8612584 600.0510072 620.2313905 603.2084325 628.4994334 631.7826266 614.5122939 616.0841041 854.9042801 606.8742211 1421.117781 1450.116389 2223.422113 1474.711549 1673.861376 1098.323294 2199.269345 1902.9573 1666.448856 2278.840426 1917.445392 2216.190858 1330.098661 132.8914944 137.8473217 131.7730675 139.9941979 134.6836342 139.3754285 135.5469806 137.1231432 132.4693295 144.4489681 197.422816 131.1050464 141.2413132 alpha-D(+)Mannose 1-phosphate 3.293351945 0.788586037 0.346566707 2.896053465 0.380392188 0.625571303 1.886115691 1.466877145 1.132822642 9.607024987 0.631825038 7.167166384 3.030755426 0.923409381 1.814088069 1.863290073 3.171292544 2.292658215 1.295716861 3.215861646 4.310771924 5.621863402 0.610601316 2.15123768 0.20043162 1.778522699 0 0.418410056 0 0 0 0 0 3.523431059 0 2.270331101 0.049265684 0.071903007 0.074531466 0.057386384 0.051031944 0.05324504 0.047727462 0.051153746 0.052658457 0.05641148 0.093432658 0.05353654 0.061624475 0.518395627 0.486048394 0.827050943 0.474712618 0.485614786 0.549649945 0.495551769 0.50198045 0.435344422 0.565705711 0.461019682 0.490021309 0.52018512 0.028165951 0.020166553 0.021701233 0.01888806 0.0508404 0.0220447 0.037209612 0.019414075 0.031273313 0.019283397 0.020953939 0.019250988 0.018389757 Tryptophan 223.0802437 170.5873681 199.6762447 148.3465758 196.0365389 131.1505798 187.3743402 160.1948985 201.3851569 203.4132136 207.5853962 156.5363794 97.06618484 84.3257857 102.8727268 57.45369494 95.94087483 66.28430345 93.92531092 66.43894716 104.5180295 76.51366189 106.8412505 75.21683245 208.7479886 186.4410318 218.3880533 169.5315354 184.4252711 153.5007501 258.5685998 132.6029743 175.3391501 249.2272328 258.5985778 175.9775013 123.3018598 113.3870789 114.3353828 118.038704 113.6504457 116.1934757 111.1004237 113.2750548 117.7559977 107.0773289 111.4170274 174.2287437 109.4921539 247.8539551 240.6594978 375.11669 256.2257525 307.1957405 179.6570445 388.6929946 320.1303658 297.9939795 381.457786 315.2248248 410.9184604 206.9742867 31.67412757 32.77903458 29.67755468 31.93360546 31.37974803 31.39269583 31.83633728 25.18332892 31.83349657 31.16872657 48.69170165 27.83774032 29.39024494 Ribose 5-phosphate 1.37652987 1.730180468 1.058803799 2.152985565 1.152489983 2.188590977 1.505741201 2.635266527 0.872464493 2.946956233 1.578030264 2.375968495 0.241997416 0.301610429 0.299973231 0.436931612 0.174135618 0.303216763 0.226975359 0.635298957 0.220134978 0.602764602 0.336132369 0.523168812 2.122702132 2.162054043 1.601815444 2.646920016 1.418633284 3.875016698 2.735280418 2.950685031 0.28729401 4.363758184 1.563358955 4.091196938 0.20519233 0.167853418 0.225352796 0.174471665 0.255814704 0.207225433 0.263702206 0.229822276 0.23233711 0.184997439 0.297971575 0.19239544 0.182624916 2.489889193 2.211790006 1.934768225 2.536996336 1.649147409 2.00248929 2.08397645 1.920793285 2.210291721 1.592551121 2.000461221 1.634233452 1.609646818 0.24612055 0 0 0 0 0 0 0 0 0.04886275 0 0 0.035761588 Sedoheptulose-7-phosphate 0.429642735 0.507094732 0.339862197 0.614152213 0.388447931 0.466631541 0.388838382 0.836713227 0.209140091 1.051087659 0.309626901 0.797326505 0.424372469 1.467989165 5.040039588 2.947646456 2.417452173 2.878549744 0.380325691 0.178376578 0.536511548 0.187164844 1.767254757 3.534967349 0.748215923 0.628840127 0.656590588 0.625412588 0.792507445 0.832040906 0.87155722 0.735375871 2.298817144 1.505142718 3.116161146 1.255013365 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Erythrose 4-phosphate 0.030461846 0.441517325 0 0.34790704 0 0.131342852 0.259353246 0.305333674 0.061180732 0.693382575 0.355697952 0.272583571 0.264216161 0.042170804 0.549917663 0.02557248 0.473120572 0.068944984 0.069155918 0.240000934 0.043166728 0.11432046 0.048506581 0.045626765 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fructose 6-phosphate 4.354184916 4.880778381 3.697658975 3.321209345 3.106223392 2.790684718 2.396854615 6.061980824 3.150089435 9.546909574 3.416903052 5.759226383 1.743506287 4.276644438 1.544324629 1.683036986 1.531672724 0.842939424 1.628284928 0.827945111 1.143158634 4.327120839 1.966981139 2.394282857 3.605136733 5.62213742 2.750331597 2.950357503 5.125841641 2.918984912 3.610835162 7.51266784 2.218941279 12.35090067 4.123976245 6.994630731 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 gamma-Glu-Cys 2.09317991 2.564650879 1.658135357 2.188580514 2.021014531 2.282533498 1.537802759 2.604827415 2.164412413 3.074976694 2.223999512 2.597743758 2.003195951 2.200872516 1.736040977 1.983272781 1.980521101 1.896801404 1.352911389 2.213793738 2.15688947 2.386845831 2.136217107 2.342445524 2.12864496 1.431546114 2.075543472 2.300176387 1.555912642 2.058190002 1.786416199 2.244913402 1.092495511 3.277529046 2.791052262 2.96325496 0.054222696 0.020044615 0.022231714 0.048378596 0.035239177 0.035017853 0.04591914 0.034409568 0.038200068 0.020422911 0.047861766 0.006082259 0.020900995 0.087732914 0.114986517 0.088262896 0.132775592 0.038257902 0.044254239 0.12917673 0.054123525 0.078663831 0.047475121 0.119083001 0.036098059 0.164827495 0.000449791 0.000994237 0.004515154 0.003310535 0.004174175 0.000872597 0.001326449 0.003667878 0.007220244 0.003483733 0.00162038 0.007304367 0.002044656 Xanthosine 0 0 0 0.032820225 0 0 0 0 0 0.042245882 0 0 0.126832411 0.170518396 0.074263806 0.183317793 0.148445463 0.139140522 0.10979776 0.230747604 0.084125059 0.232881609 0.092728021 0.20044682 0 0 0 0 0 0 0 0 0 0 0 0 0.393267479 0.344491432 0.335483544 0.374777202 0.31726223 0.331150168 0.268686491 0.345446707 0.325774859 0.304637499 0.393498546 0.379195653 0.24269792 0 0.142884376 0.386474131 0.188295203 0.452612405 0.294706071 0.263042931 0.464540775 0.1961932 0.634449909 0.280439603 0.07153937 0 0.235986776 0.222320759 0.206124869 0.245636436 0.216772699 0.225725307 0.222527251 0.206750965 0.215651234 0.248784845 0.252375694 0.213572774 0.223272568 b-Hydroxy Butyric acid 0 0 1.811265724 117.3810418 27.58817468 0 0 36.25407277 0 0 0 104.6033522 1.201320723 0.595982807 0.761238032 0.223056988 0 0 0 1.157858895 1.100675071 0 0.927954003 1.168721131 1995.259582 0 0 0 0 0 0 0 0 0 0 0 45.20552541 39.50348251 0 159.1823634 171.6946126 132.2753247 182.4298155 0 9.023246121 42.10445425 0 18.71634039 0 54.16028832 0 440.6335769 144.363729 12.13299003 1690.632004 0 188.4139384 0 0 0 0 1.19686908 0 0.331113361 1.155821358 0 0 0.426990977 0.536151293 0.487618704 0.750136202 1.441558113 0.371530857 alpha-D-Glucose-1-phosphate 1.849422834 2.205716844 1.395105368 1.452380656 1.625128047 1.587464553 1.469986457 2.37366603 1.511917582 3.598318475 1.897252251 2.389838071 0.451400668 0.246205734 0.459173984 0.192082977 0.579337026 0.115253408 0.122589843 0.113098117 0.422556302 0.227854397 0.578217386 0.082890687 2.199939525 3.109514774 2.031414886 2.226769125 1.542769425 2.143588723 2.226195028 2.127044558 1.94054861 2.997624942 2.228195212 3.576951955 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.016222963 0 0.001662722 0.005740599 0 0.012364357 0.010579779 0 0 0 0 0.005234499 0 Nicotinic acid mononucleotide 0 0 0 207.7236887 0 0 8.910319605 17.39306397 30.83130611 0 0 0 40.30941727 0 33.18564079 0 9.001980984 0 3.763313429 8.809486596 0 0.626328237 0 7.682354903 5397.956189 0 3380.083964 0 0 0 996.4454223 2920.12094 0 1822.016728 228.443901 207.6963812 0 463.987173 0 0 0 0 0 0 0 0 0 0 0 1584.223673 0 6157.679294 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22.97034439 0 0 Arabinose-5-phosphate 2.122520442 1.946999668 1.141646444 2.506362567 1.117529987 2.626840305 1.646083507 3.549058995 0.989869329 3.762111908 1.748456112 3.557868274 0.345640396 0.386589226 0.398507646 0.635201482 0.314686342 0.648287671 0.490856093 0.789256144 0.333023899 0.64689313 0.513521394 0.942932311 0 0 0 4.154542193 0 1.964100093 1.283057007 2.561759507 0 2.698071462 0.857287489 2.731084729 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.316488436 0 0.068318411 0 0.277021825 0 0.09846458 0 0.290378972 0 0 0.06395721 0 Glutathione (reduced) 303.588027 422.1218587 307.4474566 403.172635 293.9767711 412.8196439 284.8502196 387.408413 311.103996 446.4831655 320.8610336 454.4030897 141.1858133 169.0677525 147.8432475 167.9561462 150.7121938 162.8685913 136.3352224 161.9696298 146.9099809 164.2086577 145.6309185 179.4119805 279.0505666 504.3927924 347.4750514 504.8937619 304.9625572 516.3402305 419.2024742 342.8020263 287.9968177 537.5282076 385.1790662 580.4477301 4.996127181 0 2.059627158 0 4.69592122 4.883126046 4.697000752 0 0 0 5.189586237 8.100638338 5.122581009 0 0 0 0 0 0 0 0 0 0 0 0 0 0.053199709 0.026705469 0.430378476 0.318828303 0.350807551 0.350917859 0.360167697 0.011751386 0.02349848 0.030732765 0.040072852 0.006771874 0.483143096 N-Acetyl-alpha-D-glucosamine 1-phosphate 4270.551741 2219.017328 3872.66686 2085.956954 3319.479565 1986.3311 3962.826473 2189.040711 3405.139627 2960.804198 4334.834089 315.3916742 1481.333795 650.6297049 1615.454757 48.41216442 1285.640891 608.3961189 2195.446209 878.6505871 1426.50641 776.8246233 1511.971683 870.6928001 4138.794848 2815.536074 4407.102576 2702.590807 4020.172455 207.6600775 5719.559143 1869.235729 3426.48315 3554.035278 2590.821604 2667.090468 157.5532068 11.23281345 158.1047368 0 131.1850234 44.1381652 130.4521323 35.80774102 132.3718435 77.70999235 12.44012834 0 0 170.922047 0 0 0 0 0 245.7754499 0 0 0 0 0 0 62.12294014 23.63791062 52.15839644 32.63958674 59.93043494 25.7407824 61.70510514 10.87245232 59.35448253 2.37569754 41.45372342 26.99169849 26.62031822 Ribulose 5-phosphate 2.181751728 2.027533781 1.243389766 2.5065916 1.286418862 2.451500588 1.65230366 3.3499825 1.16693275 3.605787301 1.784595501 3.328896853 0.437729623 1.245720496 0.897538875 1.480335504 0.915383881 0.522896555 1.104231423 0.98144558 0.174152082 0.569129676 0.971189132 1.731821367 2.146867883 3.194092516 1.682009376 4.180917528 2.355951346 4.472882921 3.701537162 4.081539888 2.153456082 4.913322664 4.014999732 5.020264023 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.195208243 0 0.076294109 0.082470299 0.168753286 0.006769528 0.102278994 0.009699115 0.18194549 0.026726893 0 0.082662013 0.015536961 Acetoacetate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Xylulose-5-phosphate 0.247577626 0.903312307 0.33116065 1.538124781 0.300603764 1.325947481 0.628258612 1.712892936 0.201524531 1.917884287 0.798267536 1.826373698 0.837862924 0.587760309 0.729358 0.69549302 1.036230771 1.569714151 1.252163757 1.058687826 0.720587053 1.267319315 1.125158555 2.074198063 0 0 0 1.623358087 0 0 0 0 0 2.186988137 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.145545795 0.050347981 0.159890817 0.084737814 0.142490328 0.046172139 0.15868829 0.05286158 0.154938868 0.077154939 0.131388202 0.059070647 Orotic acid 0.37967019 0.746739707 0.436850087 1.090624804 0.371529406 0.969719027 0.534284188 0.835383914 0.342193844 0.979954059 0.565511988 1.190470608 0.445720369 0.750499984 0.53269082 1.035808977 0.57001115 0.87082041 0.522449858 0.719115218 0.455514238 0.797416541 0.6680917 1.054726583 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.004990244 0.00138787 0.021408358 0 0.009163576 0 0 0 0.00957945 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.116434067 0.092583084 0.114181957 0.100975051 0.105942835 0.091195775 0.11176952 0.087355758 0.108045527 0.10165244 0 0.093635046 0.092627714 Erythro-Dihydrosphingosine 7718.122482 12652.4732 7463.37381 19782.78511 5965.939027 20488.36978 5895.607318 15890.79122 5818.788736 15623.10877 3913.635315 21849.5581 3737.331981 12179.90338 2022.056915 3636.976963 4718.997187 5966.172941 13872.16831 11997.51889 4516.150146 3762.221114 1982.875723 16980.52778 3530.637703 10163.95393 10800.40031 5046.354313 3190.83966 627.6750142 5501.875901 638.645896 33295.05083 5640.146394 40048.39305 387.4670149 0 0 1064.206959 0 1712.259388 0 305.5763005 0 0 389.679988 0 0 654.886774 2536.886094 0 0 0 0 0 2178.656453 0 14067.55009 0 1103.557535 4945.30825 0 66.97566239 46.97857531 93.80048172 32.88012541 84.18181859 18.62954509 52.2546755 73.96269997 98.36113081 341.5778369 42.99417387 80.39119556 27.1263506 N-Acetyl-D-glucosamine 6-phosphate 655.0038089 2270.609439 828.4617128 2326.408574 648.7878161 2391.245973 835.4579926 1841.402192 1097.792364 2124.29522 1111.061752 2465.400121 300.9186212 1699.325886 325.3324012 278.8839966 185.8585891 770.9291642 134.6202393 714.8650779 310.7252141 1280.467104 374.0237145 370.2582429 277.8254548 896.3343098 84.13388191 3162.037534 95.73547773 904.2951828 507.5623912 69.85922825 409.5084214 51.81383585 5571.150857 102.0099291 3.194927874 25.92103268 0.529779334 0 2.796994932 6.142358949 3.382007033 2.273972049 50.94985962 2.261649021 4.518505085 0.306488484 16.57751587 9.212539309 0 120.1187931 49.27452209 30.90625086 23.87181635 4.128835411 0 0 29.6279406 0 0 0 6.735899482 4.691246272 0.151091148 0 11.4018074 0.419510983 1.801515544 0.199538982 0 0.317500903 5.027772132 5.011872002 0 2-Deoxyribose 5-phosphate 0.145112183 0.174830126 0.152642438 0.143292829 0.166263337 0.12197904 0.126823222 0.174845663 0.173078257 0.179673487 0.178435831 0.122316487 0.063618327 0.100844868 0.067911359 0.067308103 0.07248439 0.072321449 0.057723179 0.081045664 0.067578209 0.110365924 0.065453066 0.081189857 1.177067804 1.239242728 1.225521057 1.199782153 1.204560983 1.258984357 1.220272508 1.205792679 1.21549112 1.264626628 1.187053714 1.201853195 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00125227 0 0.000279567 0 0 0 0 Cytidine 5-monophosphate 8.550974228 8.461430633 7.013849651 8.785612173 6.224295261 9.335962921 6.832860038 8.599311013 6.924127012 9.872839641 8.679170633 10.52239885 9.357568611 8.414547937 7.685024178 8.751789676 7.733137238 8.771618244 6.886473257 8.974428421 7.999612743 9.196438871 9.015106874 11.59465268 6.800941802 8.196906804 2.722897028 10.03697546 8.323904372 10.63849108 11.62636082 9.484009553 6.409492061 10.23624736 11.320482 13.52700122 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-Phospho-L-Serine 0.20142699 0.192328956 0.197031513 0.282148325 0.192718447 0.308697671 0.195449666 0.377562369 0.205836182 0.262303884 0.190578681 0.221735841 0.020158082 0.023704309 0.021455656 0.038563268 0.01997137 0.041062494 0.019053288 0.157663004 0.01913773 0.036939691 0.019595914 0.031697102 1.938199964 1.996446607 1.917099092 1.9347861 2.136417902 1.989448019 1.890897454 1.949424483 1.904897421 1.911225746 1.915680315 2.007460134 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.018914241 0.012063277 0.011951314 0.01499954 0.013995668 0.015672464 0.012104171 0.012548125 0.013147514 0.015101148 0.01272308 0.014795792 0.011996403 Pyruvic acid 25.08271431 39.48368452 19.37372936 60.45566602 22.65777823 43.61857436 21.12801225 63.36892913 18.05278302 72.84029119 26.13185871 49.33320773 22.72605401 32.30281994 18.86511691 49.94193748 23.93700158 35.10917654 19.91537697 50.72155506 17.49361557 52.06324222 23.56636367 41.31352704 36.08681857 40.44216406 19.2818976 66.72764112 44.94211319 43.55847394 30.83883111 42.09274452 13.38452503 83.73185564 43.4691857 74.18581766 168.4682802 291.1375745 158.851791 282.1704551 152.6491482 270.9327636 152.2838371 270.7704396 155.8045037 263.4771167 154.4553508 848.6294681 254.4546969 203.2164874 374.0904865 345.8966178 359.1708011 258.4257167 290.4094689 341.6370582 502.1185815 254.3118696 598.6296173 281.8735246 1406.42702 313.60226 90.38269424 143.3379459 93.97451771 142.1992457 87.35829785 135.3121012 91.03380723 138.9346517 90.03030863 140.592542 306.6084289 85.22813995 141.3760299 beta-Nicotinamide adenine dinucleotide 41.55860856 40.24224346 44.0645421 33.76392179 39.97870878 32.64086456 38.17571784 34.40821267 45.38788512 46.46982247 44.95597998 39.82073299 44.75882621 39.09383156 48.85439351 32.52528273 47.50473649 31.50820951 42.72344119 34.2962727 48.70141122 39.53268802 46.77741462 39.37199307 35.98421143 38.85234325 41.02605621 35.98754831 35.84518732 33.24456844 53.86544413 24.63376647 36.16401725 44.49629747 48.74910013 39.78179766 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dihydroxyacetone phosphate 51.07744903 96.08540565 57.32076628 136.2150862 52.80920744 152.27524 94.0415965 125.0598537 48.326829 114.5859715 84.79942988 157.502019 61.2473477 106.8146965 73.90388625 159.124888 72.3568724 166.189751 105.779249 146.1798209 58.1755852 122.3963717 94.98353254 185.0343802 59.69992525 114.146804 80.76579181 156.1288044 65.94203124 181.1401111 141.5896204 113.6323745 59.66323618 131.6258889 108.7631288 184.6156569 1.162260423 0.994688008 1.18007385 1.057338562 1.200899448 1.066257649 1.059758851 1.059176846 1.125004668 1.072568056 1.139451837 1.000403392 1.023396168 10.04127226 9.987821447 10.3066354 10.01529975 10.03055345 9.934945564 10.18197732 10.08940074 10.09687942 10.13118273 10.17773867 10.05814374 10.21523094 0.585715128 0.349604623 0.606781714 0.441253007 0.593383428 0.375071685 0.609565435 0.354013223 0.590745065 0.409055473 0.573626883 0.3860605 2-Deoxycytidine 5-monophosphate 0.067774563 0.06973973 0.089829876 0.09619432 0.068121213 0.081275058 0.073059865 0.113828704 0.061162443 0.125180567 0.123159978 0.127583909 0.070203412 0.058774287 0.04645322 0.088908949 0.053343423 0.090133631 0.045001143 0.093321475 0.054870686 0.075970356 0.054516278 0.096665463 0.524384475 0.530780282 0.478357334 0.591479389 0.695482069 0.5877953 0.598618663 0.499449014 0.523391447 0.575094146 0.48544545 0.518316477 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Uridine 5-monophosphate 21.16629753 23.57818851 17.5265688 25.30553468 15.98586974 26.69575708 17.32034753 25.05514201 17.36598707 28.7680412 19.78561701 29.69823597 23.59925806 25.07158849 19.61047706 27.0026039 20.14796416 26.70105725 18.37268006 27.50579298 20.06746322 27.60904451 20.57207517 32.91312526 22.91801201 29.18369032 22.4141994 30.53951022 19.50570797 33.61029933 26.57990709 24.48886538 19.96928399 32.63123611 25.91657907 35.4485887 0.507466271 0.513941343 0.520932068 0.509645262 0.525902775 0.530651356 0.516616658 0.542055859 0.511499664 0.509551956 0.509094003 0.508243391 0.515462895 5.113479235 5.104318634 5.070879039 5.380015722 5.124160479 5.215936062 5.127470458 5.085427521 5.251906336 5.114205429 5.254248922 5.11923589 5.269710316 0.049689825 0.047073057 0.055456119 0.04793259 0.050484814 0.044717828 0.046117823 0.045874702 0.04368692 0.043667208 0.044952842 0.046547045 0.051756405 AICAR-P 26.88177815 6.680972079 0 0 0 46.43500883 18.42770105 0 0 23.87840452 0 0 450.7042872 497.596609 268.0520863 465.7989494 499.5685797 470.4503941 428.1371619 478.4256292 377.032905 637.7307738 438.3016994 565.2636389 182.2230014 316.4111967 0 132.5688339 0 0 26.62390776 28.72219907 0 0 138.2801332 602.8722646 7.862525022 1.907121801 0 0 0 0 0 0 39.71376521 24.84264992 0 14.34201974 11.76384597 0 0 0 677.3518275 37.29101552 0 0 0 62.86116081 0 0 35.85767141 0 0.585261627 3.352091637 0.751058469 1.739559142 4.816625473 2.027897992 8.917158566 9.247322422 2.372742791 0 6.059814037 0.137446183 5.363230427 Inosine 5-monophosphate 1.258787276 1.533702416 1.198418364 1.442888636 1.409204353 1.819267744 1.010026989 1.75964296 1.603288979 2.132772422 1.25705856 1.622308477 0.893906937 1.062837803 0.676845534 1.024200766 0.948477136 1.164495035 0.588480369 1.390346557 1.062855966 1.486117251 0.719573255 1.230460075 6.982277973 15.53130075 13.31036627 6.671837689 7.070469149 6.785491466 6.740870157 7.414866359 7.141789699 7.780721459 7.11867939 7.756668052 0.654539587 0.662363555 0.747286727 0.636990028 0.642921043 0.635734012 0.630423923 0.662899601 0.658649977 0.655171249 0.690063828 0.634184762 0.683210409 6.392914787 6.346482462 6.349483282 6.419546986 6.543512612 6.344527715 6.278800636 6.798509946 6.356068033 6.29688211 6.434935679 6.546652761 6.381024062 0.07021592 0.070332546 0.071254867 0.070230141 0.071738775 0.070329475 0.070371447 0.074602405 0.070471781 0.070805112 0.075934851 0.0705411 0.071737947 Glyceraldehyde 3-phosphate 0.000264272 0.000481408 0.00097291 0.002826699 0.000793861 0.001067268 0.001297048 0.00141003 0.000326366 0.00021413 0.001077124 0.002126833 0.000296592 0.002997922 0.000617473 0.001203307 0.001630378 0.006454624 0.001424548 0.000702534 0.001303737 0.004911155 0.002727026 0.007982193 0 0.000548557 3.22248E-06 0.007663122 0.006601854 0 0.005088189 0 0.004241805 0.000340008 0.00163596 2.93547E-06 7.40886E-05 0.000213432 0.000663457 0.000362923 0.000464624 0.00039773 0.000353175 0.000251236 0.000169843 0.000241359 0.000621828 0.000276652 0.000221376 0.003836525 0.005268016 0.004666707 0.003181783 0.002655971 0.003979437 0.003483985 0.000800549 0.002167472 0.001137442 0.002513251 0.001518982 0.000143204 1.69891E-05 6.35572E-05 6.95344E-05 2.46299E-05 2.06382E-05 7.22862E-05 4.64222E-05 8.28499E-05 1.83062E-05 3.97859E-05 5.27546E-05 3.28532E-05 5-Deoxy-5-(methylthio)adenosine 1.790842239 4.427167188 3.365035513 3.21177696 4.013308869 2.748673538 3.838952065 4.295321265 3.081178706 5.871779744 5.05479505 6.471833678 0.685281163 1.304922557 0.661027084 1.732300407 0.790651844 1.281891856 0.838349471 1.520583254 0.50503825 1.454053662 2.043766501 1.446315887 7.442778837 7.579669955 11.63690004 7.258110879 9.694896603 5.664857136 9.352515684 8.506412221 7.421877485 6.242317264 9.695562576 10.13485828 0.781211986 0.702894115 0.892550265 0.739886821 0.697388921 1.10242288 0.865014516 1.162731014 0.932943099 1.365341332 1.005016539 0.687263885 1.075116484 6.952195768 7.168707347 7.170201461 6.669080678 6.866221353 6.944744019 6.759122346 7.047882893 6.689983749 6.762820175 7.006617707 7.190168195 6.859262599 0.260290101 0.107265641 0.224629406 0.351145272 0.30412873 0.331582338 0.277230467 0.453599967 0.054606665 0.139169487 0.072258577 0.360969523 0.323263459 Thymidine 5-monophosphate 0.75900004 0.885173339 0.698704488 0.9169735 0.714522727 0.909733102 0.704465336 0.933414981 0.736530578 1.021940479 0.755120316 1.005652522 0.257316125 0.399308971 0.227042068 0.449984761 0.267166369 0.444318708 0.237713915 0.50579412 0.251356198 0.502705801 0.241413259 0.587972171 5.613861769 5.876209144 5.542954357 5.910717912 5.648278599 5.914218981 5.64961783 5.784336344 5.534857194 5.605105945 5.56646734 5.748229476 0.655629895 0.653525724 0.652884034 0.651365512 0.649207188 0.651168064 0.646173324 0.646308824 0.651453705 0.646638787 0.650538393 0.65254355 0.647970467 6.537068803 6.537595145 6.508238727 6.46870707 6.469668723 6.462963473 6.478199944 6.558080105 6.464233676 6.472355878 6.462793965 6.535805636 6.479556586 0.042868545 0.043175561 0.042466212 0.043590786 0.042891265 0.042665786 0.042933433 0.042525432 0.042608244 0.042696401 0.042725307 0.04329877 0.043322346 Nicotinic acid 117.5984933 229.3607785 334.6616929 293.6269968 227.3873771 249.836862 351.3312734 281.1797142 232.4698397 445.4370515 187.9172688 322.943864 424.334727 319.4572178 515.3428701 562.9221363 445.9744586 420.2315279 573.5332206 565.7125972 432.6850674 615.7966438 410.5939708 632.274896 0 11.42553626 6418.928881 1348.522241 893.3592907 3358.25979 7321.348195 1223.516393 0 105.768754 174.8417802 0 830.9465452 682.4362094 746.2301124 841.1821396 688.6635866 778.9034138 723.9278056 731.2897777 716.6933041 774.7148479 720.6215793 186.838683 654.2768243 569.0891152 364.8579681 1198.293319 401.0453319 807.6701955 226.2067659 1149.34072 1677.434185 428.3272637 1187.595732 711.1002343 300.4214406 416.0635361 846.7611687 757.191797 783.8889568 910.1486989 783.3119447 808.5698154 871.4843547 807.7381182 822.5781025 945.353112 185.2871027 788.2657199 849.893502 Adenosine 5-monophosphate 551.7943466 469.6966961 449.1780907 393.9849728 415.0337836 429.5282847 426.3084877 342.4351724 498.6772061 413.6895539 516.5070436 479.3037932 411.4199657 373.8689205 338.4623182 315.1556412 352.940083 319.7671868 299.6302855 276.0172433 373.6269926 296.8114263 374.4297185 419.7878785 540.6766687 438.9313637 450.5385871 406.6783014 319.2307503 434.9743074 545.6080044 178.4608555 345.1707133 371.4318776 553.1913946 476.9261412 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pantothenic acid 13.76703104 13.03211195 13.15220308 13.58221086 13.41243223 12.28639861 12.93716839 13.86361906 13.63196644 16.5339641 14.74630803 14.4986314 17.11538998 14.41264176 16.42591834 15.70454558 18.40308214 13.00486308 15.13453409 15.51015006 17.20661305 16.67185327 17.07233171 17.28272458 12.32275158 14.55457458 15.27722294 14.94407539 13.3116444 13.61997556 18.94693007 10.93016755 12.51076635 17.49393107 17.10823096 16.26824111 16.89804459 15.50176726 15.5413219 17.11106207 15.2097675 16.07049057 15.16106124 14.94585107 15.48580718 15.55730048 15.42409402 23.3481044 14.15575438 19.8681521 20.04108425 30.39125043 20.50617701 24.17346491 14.8924748 31.85783765 25.89373943 24.4872442 32.13926913 26.56475387 31.08945224 16.58999681 14.85885576 13.52497344 14.52074235 14.52291336 14.08742772 13.65049739 14.4923619 14.22356384 14.0990355 14.79430946 21.08257468 14.06797699 14.20946571 2-Deoxyadenosine 5-monophosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0.056113882 0.016266808 0.085489408 0 0.080877246 0 0.113904116 0.004302635 0.077162212 0.035556155 0.112707908 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 p-Hydroxybenzoic acid 0 1048.165254 1041.554907 0 1274.141012 773.0409082 813.2569902 1028.594005 904.3979955 1002.389457 783.2698263 335.5693128 140.7482698 131.1700962 144.9667169 105.402218 133.7996818 0 144.5170493 118.4019499 114.1888326 0 182.5187496 176.9938441 5581.929091 9138.193642 13748.18789 6602.748985 7150.743148 9671.886354 7303.779175 7747.457852 7663.547718 6645.168239 7148.354254 10467.11861 0 11569.44955 0 28860.83378 470.2129383 10249.78802 3517.448711 7877.799122 3956.797272 12701.28475 4446.471698 0 21558.20018 456.0378827 85829.48731 0 37083.71231 119532.5456 8269.823794 0 21810.5234 2434.639256 0 0 0 0 1051.127899 730.8669774 538.7257112 739.9982186 466.5278295 806.281838 764.4901761 653.7148042 837.985456 575.8193891 924.7891304 1190.160978 737.6012588 Malonic acid 0 1.313855949 1.008983002 0 0.483999209 1.097190842 0 0 0 0.379218314 0 0 0 0.185644882 0.059075966 0.162700292 0 0.207347795 0 0.189766259 0 0.251933985 0 0.210283393 0 0 0.863225673 0 0 0 0 0 0 0 16.53203044 0 0.425601615 0.331042777 0 0.067346157 0 0.488767883 0 0.498698406 0.369332272 0.643473392 0.293575913 0.434900541 0 6.612921527 9.482454246 8.868368047 0 6.374624441 0 0 7.348083473 8.841196628 0 7.15464372 2.342966311 0 0.268279361 0.222238991 0.130268348 0.207589826 0.240700487 0.280319521 0.239388407 0.122672615 0.197378327 0.251182525 0.256200126 0.221312025 0.357643948 Riboflavin 0.524686386 0.545458567 0.561080574 1.156915041 0.922674569 0.309250469 0.776634289 0.819310566 0.473890189 0.812149693 0.508431695 0.851576899 0.708157408 0.557792042 0.545861395 0.99007826 0.731370293 0.578715777 0.658988173 0.963178288 0.64868082 0.985150196 0.674516067 0.848402887 1.500261853 1.384177136 1.763257213 1.491863088 1.631723786 1.946520179 1.666734044 1.921113049 1.58454087 1.937464671 1.587559003 1.641419642 5.08312482 5.971947978 5.108549256 5.987846546 4.768655384 5.651890338 5.207423556 5.051318749 5.495701996 4.948569249 5.216085483 7.279234973 5.18837354 16.1896278 16.72556464 19.93469061 15.30314508 14.28191137 14.04673158 19.67763125 16.17147796 15.87187866 19.89357994 16.31880591 18.61500252 15.55073172 4.110852026 3.460078645 3.923623732 4.04833278 4.092030406 3.509933258 4.142005913 4.038543055 3.885904715 4.075807785 6.0499466 3.741269169 3.975026692 Maleic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.004841659 0.085624626 0.002241013 0.101835309 0 0.115145304 0.091573545 0.029468178 0.044554726 0.022662582 0 0 4.474099423 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.244775727 0 0.277591144 0 0 0 0 0 0 2.599377536 0 0 0 0 0 0 0 0 0 0.004386343 0.026777335 0.039250658 0 0 0 0 0 0.001108516 0.012559963 0.131759699 0 N-Formyl-L-Tyrosine 63.51785212 193.9197667 266.4226628 450.1253937 136.9170512 80.41856853 121.0612093 185.447109 0 135.3300526 179.7506881 0 154.677492 158.1824042 72.35670232 186.0667918 90.25851411 185.4835057 73.40945916 148.3681071 148.3909705 223.2989285 36.46904213 145.9481038 0 0 0 320.9391593 1663.338965 474.6704127 0 1924.177499 2268.960618 0 0 0 0 0 0 0 345.9803419 0 0 84.36800175 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1912.514017 0 211.4149591 15.27751695 13.67995917 157.5368173 100.8439687 23.67140998 122.951435 244.3839988 246.7403119 72.10554205 185.4919595 168.3030512 277.9237569 Succinic acid 6.95786601 7.287297312 4.369689967 10.83735252 5.619297308 8.122971997 4.479872904 11.0306923 5.627035925 10.82492295 5.245988435 9.450153851 7.438222962 7.367636875 5.953946259 11.15835638 7.622686591 8.388200336 5.595546212 11.17107475 7.094394144 10.61727523 6.732651434 10.81712511 6.173369476 3.625083053 0 0 3.795899597 2.364098853 10.9569094 0 1.433881584 14.64855297 10.42342962 4.2191505 29.6226671 28.18539813 28.43602443 30.89762572 27.92321768 28.4894044 27.60934207 26.82104407 28.76484558 27.65236564 27.86410886 37.59374807 25.81171457 35.95847135 33.16724994 57.87659098 40.48373758 45.89263089 21.9860605 58.03381125 53.781759 32.81551536 53.70009912 51.43582658 51.95679237 31.23249764 22.60078116 21.01727288 22.60717383 22.66400982 21.97090343 21.45407822 22.64705403 21.97793213 22.2167958 22.69232479 28.05711122 22.15816189 21.66083609 Isopentenyl pyrophosphate 716.6507196 575.4416972 2290.827314 1233.734084 452.9705517 1556.289589 404.447997 100.4978361 718.6753145 601.7350326 401.9337536 360.8110891 0 37.16292492 114.6807881 80.71798526 117.8015795 90.16025911 29.80380005 7.902510563 67.21033568 10.16756389 117.6419426 0 5444.39688 3481.30531 8097.140589 4780.328391 3700.767921 2376.044688 6510.179351 0 7096.194444 0 2481.430838 5768.52787 0 0 0 29.34165345 3100.379935 0 0 1628.29282 0 0 697.7567737 647.6291559 3227.862634 7495.916485 5345.268048 0 84429.91394 0 26124.03437 24202.80851 0 5753.51063 0 0 0 0 61.47582962 0 0 0 59.54157106 6.042325499 26.15476554 17.62406378 0 48.69642205 0 34.51688554 61.23832222 5-Hydroxy-3-indoleacetic acid 0 0 0 2.142274725 35.355973 17.08891612 3.164855006 17.83824393 29.0399936 12.72416273 0 0 8.697795702 6.879001149 2.906245338 9.964437395 5.732570332 5.411703442 2.456525106 15.80533728 2.519723457 8.393814394 9.012335582 2.944662151 16.42107829 30.0616783 61.82194346 32.11299676 15.59860429 11.12505715 0 0 0 0 110.9819393 29.5107296 22.08282093 28.28751762 8.183754841 24.54045992 44.82995881 37.40327686 46.01063789 32.32488202 24.66641293 7.74815861 32.44574404 2.321476061 32.52029426 93.50797227 0 129.1046064 67.8162523 16.93707244 3.520933241 66.91017085 95.58325417 11.01974371 96.5834306 52.75472901 5.030153897 0 15.14852724 6.400790621 11.50321351 6.489359096 1.292929956 4.313735977 13.27163989 5.047003376 11.22456579 2.749698238 1.88868295 12.49902781 7.338269338 N-Carbamoyl-DL-aspartic acid 353.2919088 713.6535498 172.9678674 1258.954295 336.2249932 1342.723748 486.9511792 954.748013 369.344509 1072.744675 475.5787721 1402.281447 596.4563946 1246.515329 750.804006 2053.620636 615.8853696 2091.968786 779.7112155 1616.272483 654.9119382 1622.602042 755.5029147 2433.33742 365.2860343 790.4840805 473.6449006 1485.899879 368.9284294 1588.199971 702.8428774 788.6684573 294.2573805 1086.495063 225.1589467 1566.969225 88.6329153 60.70989192 89.93982336 63.24514062 90.91523349 59.27055181 84.45345341 53.3730709 94.02967191 67.88261057 79.18271839 13.65780207 52.77176523 144.935193 136.2999793 221.4305999 187.4735515 121.3369712 108.2991044 214.0505855 168.2667894 155.0089404 177.7752547 183.9608459 102.5752108 141.2686252 79.51050929 49.84101409 91.71458502 58.23184162 82.11606504 53.17232302 81.20427906 50.29605653 80.57457766 56.58925517 8.282319812 76.87539886 51.12002003 Adenosine 3-5-cyclic monophosphate 0 0 0 0 0 0 0 0 0 0 0 0 0.070276971 0.112515771 0.046451123 0.095199178 0.058508747 0.088443429 0.035096677 0.084852738 0.070403207 0.083086847 0.047666344 0.112063235 0 0 0 0 0 0 0 0 0 0 0 0 0.035596902 0.064031195 0.033794107 0.039952685 0.037079491 0.033316225 0.041799966 0.039320929 0.035720337 0.039718547 0.042459587 0.035667364 0.033175677 0.327978631 0.32193533 0.324407631 0.323872949 0.397215038 0.323256722 0.35012608 0.351134896 0.360168508 0.380119774 0.328750579 0.325504054 0.323450934 0 0 0 0 0 0 0 0 0 0 0 0 0 N-Carbamyl-L-glutamic acid 0 0.048592929 0 0.041677685 0.004119816 0 0 0.023786174 0.000555294 0.018795423 0.015184948 0 0.027770867 0.042346974 0.012256586 0.059658935 0.036455497 0.049218928 0.020650466 0.032989749 0.040255433 0.053044883 0.034002018 0.04914138 0.010235254 0 0 0 0 0 0 0.144723259 0.046565479 0 0.039823966 0 0.119160222 0.005187127 0.160780818 0.112130153 0.02597138 0.085531801 0.147834514 0.011309277 0 0 0 0 0 0 0.042733537 0 0 0 0 0 0 0.141576693 0.104078266 0.08865353 0.11066862 0.102953353 0.097455403 0.118379462 0.082811555 0.09413852 0.096558886 0.130496701 0.106766234 0.067603466 Itaconic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glutathione (oxidized) 3.280643676 4.027420621 3.136271419 5.597871447 2.887791563 6.485222129 3.530664799 4.643494644 3.530825083 4.370337441 3.300174462 6.159283883 4.726794753 6.106230008 4.820580378 9.016153596 4.749331823 8.374436727 5.268519116 8.206865878 5.689620526 6.890250775 4.320527376 10.01337394 3.91014326 6.57808672 3.935022255 5.256481442 2.157372638 8.413632348 5.279269955 2.521740673 1.712515051 4.856744523 3.602833934 6.786567691 0.350852221 0.23051641 0.268183702 0.249248378 0.255280735 0.262631678 0.285973293 0.251983412 0.290660001 0.259216165 0.251950858 0.231994087 0.234999593 2.385635067 2.384947139 2.333127592 2.424364299 2.315191813 2.31170859 2.383621376 0.083529247 0.041792317 0.067106634 0.050011564 0.065871786 0.042200089 0.073166611 0.03296454 0.053101556 0.03510547 0.0657331 0.032761217 m-Hydroxybenzoic acid 239.6806235 294.6545696 278.673161 347.718473 246.9175695 341.8528219 0 185.4507666 0 391.5766029 0 0 27.86840978 37.44000065 41.99983971 13.2365582 32.67739644 0 40.40446262 13.84512614 36.29610198 30.22570421 0 25.89086798 2999.180147 4160.169097 3193.362895 3431.181535 2332.702661 4025.183304 3597.953806 3343.094614 3538.1433 2513.900515 0 3936.047583 0 0 0 0 54.34548734 28.33321834 3673.137146 118.84439 257.219755 26.53904555 47.24750725 0 25.90151224 0 0 0 0 0 249.3456348 0 0 9292.599121 0 1114.157489 60763.47623 0 34.3069327 0 9.763254676 0 0 26.12932761 0 11.73307684 0 17.61420482 6.291952573 7.075063252 0 Malic acid 11.3368802 22.86428519 11.30402333 29.85000852 10.5118053 29.52313118 13.10012761 30.2013231 9.645300193 33.02417441 13.48868236 34.68566541 12.50480954 20.85744253 12.75222769 26.96303294 13.23781802 24.87550153 14.27732374 27.54836213 11.29133534 27.18067605 13.6074221 30.56434957 11.74399048 24.71340131 13.17767658 32.74345807 11.73583834 32.45382256 18.43211456 24.75663557 9.755129894 35.32819097 16.20936137 37.94397665 13.83387328 8.613850306 13.16734791 10.46848249 13.12507212 9.09705981 13.54868896 8.207801371 13.49865099 9.385832174 13.07170777 5.678418135 8.404972784 14.28393604 10.83874419 24.51910557 12.27892137 19.94235128 8.659109717 27.49975586 13.90075954 19.41202113 19.22452986 22.14164006 6.956742688 9.843106024 13.33269157 7.993876295 12.93829492 9.57541888 12.77088855 8.440499913 13.35408212 8.570310935 13.00098667 9.501351054 5.67516528 12.74051247 8.950821783 Hydroxyglutaric acid 0.618219036 0.959507733 0.682067469 1.192443655 0.624390268 1.072354783 0.702652213 1.060276694 0.744292909 1.062670231 0.709599284 1.210190231 0.891441515 0.978993206 0.888368711 1.18901307 0.931456039 1.074891884 0.790097374 1.045394522 0.935959787 1.021820835 0.914508961 1.215468431 0 0.231586588 0.535618938 0.472112155 0.034902207 1.028784582 0 0.335936115 0 0.720691185 0.149920935 0.791736537 1.163161591 0.9383137 1.103182748 1.044158994 1.070648282 1.008660571 1.00488285 0.923165073 1.034938768 0.965800627 1.042333322 1.092234424 0.926458727 1.491921936 0.75685212 2.115808864 1.548703159 0 0.43973746 2.717246293 2.140805823 1.884575127 2.213298439 2.033502288 2.101958983 1.247903367 0.94007148 0.795625592 0.921054323 0.867257769 0.911661034 0.818492918 0.938901706 0.829708298 0.919682431 0.881397441 1.01619137 0.912037946 0.841020295 Citramalic acid 1.638078539 3.732920118 2.339702753 4.37921689 2.381633517 3.790521178 2.24870073 3.716256767 0.355925832 3.987103921 2.238559496 3.917924198 0.99524892 0.558043002 0.574497191 1.053428218 0.786157666 0.632734393 0.622988632 1.017622168 0.748267745 1.020404204 0.659657947 0.940339606 19.89144747 0 0 22.44884853 25.52374796 0 0 23.37820991 25.77233446 0 17.42653302 0 0.154436212 0.121281623 0.117491806 0.149270488 0.095163984 0.132457391 0.099589021 0.116518442 0.145846728 0.122732526 0.136517127 0.131308297 0.131595906 0.361011474 1.115950546 0 0 1.186950732 0.951027955 0.602589942 1.229908027 0.045915846 0.232381096 1.212817952 0.221946058 0.204987858 3.453821051 3.137232453 3.436372991 3.366220995 3.28280962 3.098778831 3.56488476 3.446672376 3.453311404 3.450497861 4.659587234 3.488428891 3.093193649 Adipic acid 0.159144233 0.093673201 0.139894538 0.765777147 0.169447552 0.110948373 0.100863403 0.162095805 0.09012328 0.107844568 0.816309692 0.209365611 0.065605749 0.388539227 0.021725945 0.478980373 0.027447649 0.027588461 0.028119279 0.551907553 0.025958128 0.570352585 0.022821928 0.490353114 1.895398637 1.152337866 1.04157255 2.069998544 1.325838181 0.930922007 1.073617266 1.900089471 1.759623332 0.828144505 1.17641535 1.417273463 1.937270508 1.462981445 1.812972669 1.820383506 1.842917189 1.727939751 1.955738345 0 2.012511519 1.689637975 1.848041632 1.310417101 0 0 0 7.588300551 0 0 5.858247217 8.109169656 8.86188262 7.263072105 7.819406354 7.319909174 4.984773744 6.730201884 0.725240417 0.681662574 0.82945091 0.808285991 0.840467554 0.649891188 0.879626611 0.679899079 0.834690995 0.79984355 0.332821322 0.823047752 0.749465789 N-Acetylaspartic acid 0.077025761 0.084787657 0.086146407 0.104800346 0.079062843 0.106822773 0.138257917 0.11077607 0.097274018 0.1008284 0.068072789 0.094476756 0.037002448 0.037457282 0.038167921 0.036752301 0.035776083 0.032461118 0.032182926 0.045062432 0.041193701 0.044334182 0.03643157 0.039212446 3.020586138 3.036738323 0.759423564 0.768387028 3.003834754 2.271993285 3.175464337 3.205512771 3.260321554 0.767593501 3.346825365 0.72125599 0.135281353 0.125222812 0.121859617 0.111252113 0.112319583 0.114412451 0.10511518 0.087724334 0.128106819 0.101258611 0.096798543 0.134857567 0.075468379 0.496749024 2.917383549 0.521510184 2.772535669 0.646175743 2.861734204 0.5617724 2.507745616 2.747423141 0.545370365 2.854721713 0.63301459 2.841472524 0.066624712 0.055023183 0.066213888 0.064645083 0.066854338 0.06220059 0.065695446 0.059783045 0.066695443 0.068267806 0.097308287 0.060482544 0.064043375 N-Acetylglutamic acid 0.28083126 0.272772491 0.304153278 0.354091394 0.305977961 0.28724939 0.308216799 0.291962297 0.309422174 0.353591638 0.28709744 0.353518588 0.12846192 0.129782547 0.12874022 0.147374584 0.128868607 0.130664392 0.111261461 0.133028972 0.131138907 0.159000633 0.127515614 0.155776212 2.525716845 2.468361802 2.505129644 2.459178864 2.474812472 2.436751357 2.410354204 2.420852634 2.406924765 2.424324366 2.447662339 2.46851178 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.042203319 0.035318247 0.031606515 0.04296965 0.045564441 0.038888843 0.042503138 0.035946938 0.045782584 0.03956522 0.029689877 0.044469492 0.037272816 UDP-Glucose / UDP-Galactose 61.15609067 78.22451311 61.03568644 64.3573073 58.06556965 57.4926787 57.97295764 68.51921092 62.87704956 94.15857034 66.2794 72.51130766 154.3733204 193.049202 161.6052519 142.6018418 171.8137263 113.0428471 142.8974299 163.8231266 168.7425724 215.6060868 161.8579296 195.4929053 57.37311067 84.0320759 65.30654812 65.76607362 58.43616145 71.00161038 70.19349496 50.77181534 58.70542088 82.75380446 68.75627886 82.80511953 0.497374792 0.478679314 0.487940018 0.480783727 0.483471726 0.473858217 0.479582351 0.4743153 0.475755209 0.476340306 0.473409273 0.473396516 0.475207045 4.975390998 4.742864968 4.813513072 4.76410778 4.738354974 4.750064534 4.736692764 4.736520886 4.785840009 4.736600988 4.73615173 4.866924211 4.844839496 0.040746191 0.040483144 0.038352537 0.04451123 0.037596413 0.039851051 0.039795037 0.03926682 0.040179775 0.041022799 0.037119107 0.040689844 0.037733805 alpha-Ketoglutaric acid 4.739523494 4.748162556 4.68573237 5.091292722 4.881660262 4.618725113 4.502398027 5.740793254 4.835016789 5.504061262 4.811488382 4.935046348 2.510936569 3.349428924 2.103859139 4.209283582 2.574693491 2.99393628 2.303337511 4.964555128 2.340009377 4.875127664 2.287239544 3.994144286 29.03000992 36.38147555 28.7366893 34.48221528 37.97431058 28.68447015 38.7866663 36.80893861 37.5978743 38.49232423 38.41924561 33.95699791 12.12702723 10.25128464 11.56532215 12.07285625 10.98703717 10.52988143 11.77763605 9.8374413 11.99470267 10.63866483 11.81447205 5.943481347 9.929574718 32.31437225 25.54023334 37.89973474 28.6092885 33.9754622 27.62117737 35.98964946 34.03953519 32.51166908 35.69325837 35.37716349 22.54417962 26.38320629 7.442615853 6.100583903 7.717361588 7.124932469 7.531388122 6.18907838 8.000619061 6.340998054 7.658656257 7.077870281 3.195066981 7.54190108 6.652459491 2-2-Dimethyl Succinic acid 6.208434718 3.626638338 5.542471011 5.021787418 3.052896088 4.593245256 3.032818803 7.199339416 4.963138404 4.173001702 1.143687337 0 2.569499488 3.45596542 0.973741141 4.69701611 0.84174833 2.891703659 2.494474113 5.688520828 2.762438118 5.53800852 2.687066327 3.66730021 11.80807593 9.35210541 14.84076774 28.74552027 28.80945267 21.84885729 15.97139474 10.38630682 0 10.96025485 24.30111985 29.78753944 17.02871805 11.3864135 13.31776899 16.54248586 15.60164021 14.94643496 12.98952012 14.94417599 13.8988847 14.10195774 7.895626696 9.070017332 15.42212443 17.76687463 33.60107942 34.09430426 22.42459073 63.81898981 52.55176086 0 62.56214627 53.11554073 70.36563085 61.88485752 42.59241948 3.013488074 8.384850412 7.302910919 8.99866306 8.583735023 8.66454453 7.379973734 9.304094086 6.825689255 7.961091773 8.353385622 4.124204781 8.514543664 7.719812777 Cytidine 5-diphosphate 48.85860618 53.37763293 51.83097806 45.7313383 45.21489262 40.48059473 49.90785738 37.27746625 50.51618054 52.43396739 56.89833677 52.46058388 60.07566796 59.82074768 62.53437092 48.30292656 61.26271598 49.36415682 56.89040088 47.27692356 64.30598285 58.53847802 61.47456664 63.33368567 51.05399148 53.90519963 68.8580786 53.97440751 39.07160172 64.82465085 61.11087153 18.42754159 46.27697252 52.52860978 47.13799856 50.46482398 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4-Hydroxyphenyl-pyruvic acid 4.515553852 0 0.876823717 9.679273891 10.02026648 0.430334665 4.201862705 1.040264351 1.876042898 2.430728884 0.0933294 2.547640638 35.3320265 21.6679781 23.88648261 36.05194526 32.70159071 22.63667395 24.38146512 45.87536118 24.15007772 45.24680525 27.86452776 32.52530329 0 20.54258279 0 8.314687431 4.687081651 0 0 14.12767759 0 8.009539316 1.142436847 40.74930254 104.1848943 4.469638917 82.97489217 77.88289344 69.1353638 67.39855912 93.88298126 49.13698069 87.01762238 13.93498279 78.43962595 5.92349158 55.01526732 63.24099887 11.9635264 50.8083313 22.5097152 35.91057188 16.37226563 32.41053721 112.7779653 156.5034088 24.11068519 32.43192619 11.01200302 29.35548954 50.53149916 29.97393234 59.43049843 43.81319018 52.13819611 34.42778557 62.30227849 31.90757312 57.31125902 39.12321856 56.33017756 33.32649593 UDP-NAc Glucosamine 1644778.706 721356.9616 1741118.268 541052.9051 1249896.687 400310.3578 1448183.284 670197.0249 1567479.406 823919.7955 1671864.35 632289.9724 19290878.35 7542272.19 20152725.86 4549417.18 18488478.31 3503258.846 17508671.25 5316555.431 19505146.81 8164261.776 20225060.79 5979050.111 1623563.905 773975.2449 2043653.321 705258.6519 1398799.555 446361.5516 1863516.691 514962.5307 1254354.317 688486.0512 1861673.188 613912.3096 0 0 0 0 0 0 190.1544003 0 0 0 0 0 0 0 0 95.33928965 0 0 0 0 0 0 0 0 0 0 0 0 20.50744301 18.46751875 4.203581439 2.610081676 14.45044441 0 16.68108834 15.24027583 0.564483977 6.195143196 0 Ketovaleric acid 37.90552468 28.95671655 34.18359857 62.20781655 41.55961689 27.68018915 39.9942141 85.99115609 41.15267279 97.07845014 24.65755896 47.28337351 51.09905012 51.7856553 37.41142954 90.46945672 56.46596963 11.6642665 50.72290261 96.56241084 43.96049653 77.09995273 45.32148307 71.17738208 243.454681 111.5275602 130.8961813 273.0797707 267.7704946 131.3099524 268.3336301 204.5365349 133.4102518 186.3340526 253.0165758 237.4728306 485.5507121 392.269505 440.5608467 499.9338079 409.5103951 427.9278039 420.0703585 405.6518892 471.3641036 441.7295061 452.3087533 230.4163203 368.1493921 488.4509087 845.3301081 793.0003177 715.5942886 630.4666898 450.5095907 1069.570461 824.9589333 829.4047714 996.2451912 828.6193831 361.6275347 545.5956191 300.5019453 259.4734156 296.8371729 296.3191817 294.0440049 262.6817282 298.6991609 263.4253688 293.4114131 276.3286926 283.9911242 267.8564192 2/3-Phosphoglyceric acid 1.13804704 1.647629701 1.010796701 2.164366051 1.142636872 1.980905699 0.792722625 0.870688936 0.79503728 2.378567796 0.6291334 1.879329503 1.759100667 1.889122932 1.746083888 2.56093684 1.76937781 2.300357459 1.288534776 1.618755036 1.801994514 2.776281366 1.228770569 2.492956618 0 0 0 0 0 0 0 0 0 0 0 0.347656356 0.317944205 0.290340009 0.306973005 0.303852687 0.246430467 0.26315492 0.258586501 0.249180593 0.175641066 0.21202111 0.237662296 0.232164768 1.443953402 1.735192365 1.642454845 1.440442233 1.493519972 1.857078556 1.473456049 1.436432504 1.480303127 1.613519468 1.691886504 2.666906538 2.201076821 0.163625993 0.119225938 0.157987776 0.144896337 0.197284837 0.134625345 0.156429838 0.120911768 0.192584945 0.141827604 0.150011663 0.139915375 Fructose 1,6-biphosphate 20.97656913 47.46940504 21.78628878 48.66690366 23.35075216 43.6894711 27.20706452 76.65917859 22.45504205 88.23103574 23.42524471 72.22882144 18.19131082 37.79765268 18.65880245 38.15750046 23.547219 34.06380841 24.15181283 63.05122103 19.08479757 61.61186527 22.22183708 61.62316285 20.98029702 44.73255797 24.68498053 59.41601164 9.38938396 10.18766806 45.40947634 64.60760689 15.54189157 98.9767611 9.872344488 73.64147254 0 0 0 0 0 0 0 0 0.6703226 0 0 0.425050227 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.930756727 0 0 0 0 0 0.39043669 0 Uridine 5-diphosphate 31.16989395 36.26628603 30.95486988 24.12035329 27.74258277 30.02711608 28.47729772 23.88736796 31.53373498 31.10713024 34.78031161 35.72249526 23.20180313 27.22226457 26.64773997 13.17006039 22.97746837 21.08169686 21.17491467 14.9180416 25.83794621 19.00407879 26.39969538 25.1062867 26.89659662 37.0184178 30.25015783 25.72692282 23.19085279 34.02626849 42.46502675 16.3539269 21.7710281 32.54454495 31.11978497 34.87933228 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Guanosine 5-diphosphate 27.3945713 24.04795496 25.97875821 22.36524392 22.68845141 23.16395381 20.43036142 6.04740288 27.58692465 25.30333104 31.81501837 24.68425733 31.83165297 32.71729469 32.53189028 22.8663676 28.75576103 26.48776697 27.48496555 24.25243963 31.56632253 26.53417119 32.74435086 33.59570054 0 0 0 0 0 0 0 0 0 0 2.06016312 0 0.53201125 0.239492313 0.206794134 0.193078478 0.221184633 0.54676267 1.296318837 4.480695553 1.863191632 3.195193317 1.44141977 2.66708873 0.042173001 0.062523418 0.036786534 0.037039663 0.025541456 0.020585324 0.067736798 0.023081509 0.026293319 0.018166943 Inosine 5-diphosphate 85.60409161 87.94552161 78.52664693 71.8748907 71.46666466 66.88177962 74.14415894 67.55197101 86.61518866 87.07627121 84.35261732 84.55878409 77.77987455 72.70745332 76.31994513 58.10553945 76.88214301 59.22924331 71.74062821 63.53421943 78.54068819 74.63524483 79.22342598 74.77640876 76.66637243 17.62671411 125.4329503 92.15004589 56.08914855 89.04614455 57.51779958 72.6662804 74.48252603 65.14127088 97.14516258 75.22759566 0.295464292 0.227848067 0.25041632 0.498572413 0.508918115 0.255536125 0.334562069 0.304697691 0.251747293 7.636540102 3.628264931 3.834876111 4.675673359 3.37429716 3.351024412 3.493465348 4.328829403 0.141687167 0.142388062 0.17347483 0.15926634 0.149828149 0.160259276 0.152956759 0.143995823 0.140509636 2-Deoxycytidine 5-diphosphate 125.3430337 30.19251978 9.279549053 19.6087887 0 109.5655513 86.10549794 80.91806615 0 34.30905179 228.4693877 19.91104857 4.131609079 0 11.43688252 7.096004263 0.722642427 29.58988964 11.1444944 1.570407272 1.831249761 10.42210272 6.577351116 0.807355093 141.55722 35.10297348 59.84816262 260.0874869 34.42621774 0 359.6868259 36.49344672 0 110.1565887 9.89230608 272.2211011 0 0 0 0 0 0 0 0 0 0 0 13.48692963 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.218726486 0.197439063 0 0.878303555 0 0 0 0.111689333 0 0.030644467 0 0.368962796 0 Pyridoxal 5 phosphate 7.946791375 13.20253323 7.046554308 10.91624608 7.411645037 15.72729579 6.455448582 8.361843791 11.24034292 21.50470469 5.539107883 12.67971742 13.09771354 14.96892992 12.88816124 14.51772527 13.43366226 12.99345882 11.52372866 11.51186852 12.81616318 14.83339908 12.29819208 16.05466044 0 6.600198291 0 0.402532904 0 0 0 0 0 9.053958503 0 0.463839878 2.220413466 2.164487604 1.362547194 2.215829274 2.432771031 1.717416507 1.466137845 2.098902498 2.83679622 1.360238966 1.214512933 1.264320213 2.523734462 12.33025645 13.07840151 11.96885935 13.80128573 13.36492778 12.53542989 12.27522416 14.76630634 13.27820786 13.43933534 12.11439122 14.86989088 19.40827244 0.164485016 0.253891655 0.215688788 0.065943674 0.340361552 1.531209557 0.904608228 1.257081245 0.686643929 1.132026592 0 0.253431946 0.065220705 Citric acid / Isocitric acid 105.3915693 73.40781249 48.66339533 55.81818613 39.65274023 47.74405845 34.86929897 47.4938143 35.22123732 55.80387614 41.90321657 53.90129772 25.3681694 30.00997555 28.35523844 34.36075945 28.61480728 33.70881028 28.20914535 32.63652229 27.47868009 36.14082923 29.63385775 35.467806 856.4724436 372.5352091 150.1060725 83.17080098 39.08665573 26.20680797 3.301983344 0 0 8.303760262 0 11.14146752 135.1782122 83.42913569 65.0609512 67.29852724 49.57411131 52.04136014 30.83064318 49.21103334 48.51441788 51.88742985 51.32640853 33.51392237 40.9148626 929.9920253 364.4334394 174.4787251 101.4571783 76.66577456 43.02951372 76.75076145 76.71654475 63.38443108 87.31340657 68.56568962 35.78382879 37.15447203 27.26127772 29.24175258 34.26145042 35.92475122 31.49190175 31.44182872 36.89729971 31.58993506 30.26863982 31.84806514 25.17809724 29.01599084 28.22551368 Phosphoenolpyruvic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.007783406 0.016698416 0.025215335 0.034217939 0.006241731 0.005739326 0.014700376 0 0.003713296 0.010322617 0.012727431 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.043108971 0.026319762 0.026657952 0.030866875 0.034119561 0.020818592 0.035178483 0.019217668 0.033949711 0.030347674 0.030211426 0.02271739 Homocitrate 20.50289058 5.919982213 27.2219897 38.82185038 0 136.4209596 20.15533793 76.67083769 5.118297512 29.40584458 21.43295747 67.08585617 88.21577231 89.11549892 59.86421913 155.1645793 85.329904 111.6578646 65.64401691 163.2100853 56.67243427 135.217056 62.69710079 141.5622845 0 208.0921694 0 174.2195809 0 64.71526983 0 0 0 0 0 317.1642215 261.8777507 429.3327275 84.71589493 383.3844099 365.0466739 410.8894064 364.6832278 221.554151 384.1928819 16.13033727 152.4237131 483.9331535 363.0234304 0 0 656.0264722 166.3588982 434.8410816 374.5771883 0 727.6735583 422.9862903 559.105931 367.5944785 662.0105163 642.7207464 540.1536915 510.3658218 521.8386664 546.1126875 531.0325773 509.8670755 509.2449439 539.392839 515.9706778 541.8762187 707.5552585 527.7705401 512.5723626 Isopentyl acetate 0 16.24574661 7.399770354 0 2.971375908 6.999222064 4.022976227 7.18336014 4.653575811 10.22158146 6.067195425 11.01100161 6.546270335 8.673023961 7.430077082 9.468835138 7.446052961 8.4213546 7.212076943 9.229037525 7.505589455 9.518731964 7.638044831 10.55323264 172.4100864 48.65372344 0 0 0 0 0 0 0 0 0 0 29.88584428 14.64401682 9.004011562 10.11675382 9.138607186 7.851075341 8.149345821 7.559763865 7.617304066 5.883606442 4.985719503 3.278480689 4.244269325 139.738719 32.1979794 0 0 0 0 0 0 0 0 0 0 0 5.48046402 5.453687346 7.092079537 6.451240772 7.260313372 6.133786711 6.678089232 5.860419788 6.117480904 6.17582225 3.649500819 6.926160374 5.803384474 Adenosine 5-diphosphate 178.1220428 175.3397359 180.9649645 140.7036686 157.9227348 140.7356962 167.4143744 142.3037148 173.2622758 183.6617324 191.0197081 169.0654534 173.2908641 168.0281708 178.7904931 138.2888611 176.4747849 134.3588094 160.278008 142.5367472 181.4206467 172.0907086 179.3755314 167.0336448 175.7045017 183.6124717 211.9699218 155.6367565 152.1416089 135.4420373 251.8023719 114.1239164 141.8992227 193.2215473 205.0990666 171.6655824 0.27446643 0.040921777 0 0 0.073849613 0.102895645 0.002943018 0.106687456 0.00448152 0.06052643 0.054259175 0.029820159 2.499454049 0.205484614 0.031177996 0.793783478 0 0.24290514 0 0 0.609388911 0.084635051 0.635978393 0 0.666273782 0.003837708 0.008723574 0.001698 0.012934547 0 0.018052441 6.58017E-05 0 0.002322789 0.002380459 0.003135174 0.010636496 0 cis-Aconitic acid 0 0 0 0.189610333 0 0 0 0 0 0 0 0.209124397 0.408483568 0.616604362 0.465735456 0.719806478 0.447619414 0.611604627 0.445426029 0.587488419 0.283403655 0.590790503 0.497426436 0.753547993 30.62529261 24.49735215 22.85672304 30.3257742 31.7378764 31.11872436 32.69066188 21.98295985 21.08551666 20.48111095 32.44867406 25.18605251 0 0 0 0 0 0 0 0 0 0 0 0 0 10.99832185 11.49205428 0 0 11.65484482 0 12.48836004 12.43388355 0 0 11.66144813 0 11.69087789 0.156577734 0.125788631 0.151579138 0.160842091 0.149042437 0.138669346 0.163637271 0.137858934 0.172755009 0.159042797 0.083745821 0.15886705 0.145643752 4-Pyridoxic acid 427.8451307 284.7141782 75.1022288 0 229.6139683 70.63062038 38.83578012 592.9398026 257.4774537 735.5302634 199.8069867 202.4933536 499.2539601 374.2184269 300.3024216 666.5474701 544.7828269 398.9279761 375.674354 769.009685 347.0320016 622.1694454 478.4978706 648.2864568 0 0 0 0 0 973.0192827 0 0 0 1347.862392 0 0 3234.196065 2990.115304 2765.681672 3141.807412 3018.494233 134.3768755 2879.558043 2671.561831 2928.156149 2830.379797 2683.21377 3754.768592 2710.206157 337.7672874 715.6680191 6606.793407 600.548669 4402.138619 2312.639927 596.0492085 1430.360819 141.8946755 6596.569175 2897.351999 282.3706756 1609.127929 3360.468224 3346.059324 3331.17852 3326.384171 3393.48495 3037.144384 3443.983709 3312.931566 3373.469043 3256.965531 4393.994273 3396.383263 3211.53759 Thymidine 5-diphosphate 2.193229451 2.142429921 2.316057407 1.816351616 1.910724167 2.11681775 2.051439765 1.762160615 2.187380431 2.147363356 2.586126426 2.319721367 2.523294532 2.140002105 2.393049723 1.860039738 2.252717026 2.116174353 2.165075464 1.655320533 2.427210679 1.939379314 2.434399566 2.290433738 0.963975452 0 0.372320109 0.945090497 0.241142838 0.73282113 0 0 0 0 0.691575187 0.098148819 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 trans-Aconitic acid 0 0 0 0 0 0 0 0 0 0 0 0 0.496712515 1.020049107 0.788875458 1.241030732 0.755821189 0.959370461 0.719896288 1.006836105 0.671485983 0.99554026 0.805604213 1.296846548 30.57868324 38.9334862 48.55319433 33.87463681 29.21051102 33.39440349 32.58555805 32.95176895 32.35544669 31.90403707 36.95860781 40.59830951 0 0 0 0 0 0 0 0 0 0 0 0 0 16.28259229 17.49067863 18.40428744 0 17.70914294 0 0 17.30589461 18.88110796 0 0 17.77988574 0 0 0 0 0 0 0 0 0 0 0 0.042542709 0 0 2-Isopropylmalic acid 0.49832076 0.297118016 1.150672324 1.1196246 0.600642319 0.328494119 0.304280715 0.277664303 1.361779258 1.083396457 0.394043329 1.563339707 0.056326303 0.047998155 0.214707015 0.047636412 0.051823879 0.08012099 0.086845105 0.146282822 0.054341937 0.125448298 0.106507829 0.078815897 2.796832036 4.740998576 4.104633679 9.292018169 1.901074743 6.395499228 3.599498725 13.35158849 8.621518375 2.771150616 3.634877872 4.943121622 0.585163477 1.210355454 1.656531868 0.765479082 0.596667348 1.375843424 0.615612474 0.942379035 0.724893456 0.715305247 0.630885392 0.722767538 0.535538781 6.566797474 6.915269421 6.424319519 5.585427829 12.43637106 8.213165897 8.260999538 9.317137276 10.52892462 7.402029295 6.435164526 13.1954446 7.488511802 0.383403886 0.463436341 0.340602221 0.171029382 0.155428695 0.064774994 0.091334213 0.410142784 0.08324355 0.088216228 0.17742835 0.053446396 0.411722014 2-Deoxyadenosine 5-diphosphate 0 0 23.7656264 12.75331287 0 0 0 3.985928856 0 0 5.922967809 5.823921708 0 2.498707934 0 2.614895588 0.174604499 3.700529793 0 2.433532351 0 1.894143526 0.202243738 5.210405882 210.0255309 0 0 0 0 0 0 0 291.9274567 0 0 0 0 0 64.27203959 47.98335274 50.93500714 64.71605894 63.67777201 11.37131273 0 0 22.77959721 0 50.07291676 0 3348.939316 698.4150489 775.1720551 454.1873303 778.4543009 425.738707 180.1051445 902.6244072 41.82804024 707.5750438 506.092006 734.4582399 0 0 0.287227976 0 0 0 0 1.667025323 0 0 0 0 0.705235515 Adenylosuccinic acid 0 0 2929.382214 0 0 0 0 0 2648.14407 2815.99663 0 0 0 0 0 0 0 0 0 0 0 0 0 10714.52804 12886.41036 15415.64757 9558.724787 14533.44469 93.79846594 0 54.49772733 615.705586 240.9345064 605.3747979 0 238.5047078 1176.528308 9.120539002 0 168.9651651 68.25624259 477.4673743 0 0 2730.597592 6867.118223 3057.773751 247.6895785 4137.724241 500.1872459 6142.569483 2719.471085 2632.467512 377.1625717 30.69841214 4.569994225 32.66474338 0 0 0 153.5129183 45.73320515 0 0 38.09140464 8.567194033 1,3-BPG 5.292814678 98.52829052 4.178176291 137.0006327 1.077461804 243.4281988 4.248368537 7.146788666 0.866490151 6.609539731 3.231253095 6.338031466 0.305260446 136.4854748 20.17274175 212.9909014 0.473672866 211.5410982 25.09529199 109.9596474 0.423449547 91.75732591 34.83131823 213.157212 64.55097078 26.47850218 0 21.49271069 29.5709316 20.78794969 96.33206383 143.8869324 49.80918305 29.60220302 26.10929723 23.58975371 0 0 0 0 0 0 2.582430061 0 0 0 17.02937177 0 0 0 0 0 4.101597875 0 0 0 0 0 0 0 96.58566028 0 0 0.15609066 0.013252934 0.817184804 0.213022873 0 0.721559028 0.269094165 0.093272042 0.144083464 0.629613233 0.51391749 0.486750016 O-Hydroxy hippuric acid 0 2313.880246 0 0 0 0 374.3711279 3841.314129 0 0 0 0 345.4216666 0 0 0 301.4153526 111.6474749 316.3386629 0 129.8559779 0 0 0 28127.65214 0 17612.67451 0 28782.17076 5766.942032 7612.491984 35823.1676 0 4260.063262 19381.04935 0 0 0 223.9743758 0 91.12190576 0 478.7965744 0 0 0 0 0 217.0893686 0 12045.90063 0 0 406.7526904 1770.279583 0 0 0 0 0 0 7432.242408 27.8953236 48.75960587 0 64.09102089 19.92193927 65.78440329 58.88983705 45.8827965 0 66.60368438 0 0 0 Salicylic Acid 3.324862661 3.654339332 3.226158179 3.591419676 2.863049252 3.704958501 3.110360259 3.84540864 3.499578897 3.820336993 3.092691906 3.507103828 3.551977274 3.514478667 3.430224195 3.48981259 3.488831189 3.441498885 3.248137465 3.947940563 3.996841902 3.528818953 3.120178865 3.533921763 2.672067877 3.519529269 2.713641475 4.11521417 1.636598683 4.233737559 3.550854988 2.675458123 2.942360877 3.891871888 3.129597404 3.603536816 3.294881376 3.864900829 3.285537124 3.63211729 3.297172577 3.302808745 3.119997884 3.100647565 3.477752375 2.901829494 4.502994086 2.931586269 2.842355626 3.601885312 4.840872842 6.468233833 4.435817613 5.327506726 3.923483541 7.084742076 5.954104069 4.919557311 6.407311461 8.213061165 4.292845232 4.035004521 2.990145475 3.376514937 3.243502518 3.174308813 2.98542719 2.816280227 3.434600356 2.979922183 3.347490447 2.71385906 2.728814429 3.942690895 3.120619571 o-Hydroxybenzoic acid 34.63399713 38.06604689 33.60582511 37.4106336 29.82343925 38.59333007 32.3995964 40.05635281 36.45395851 39.79518974 32.215551 36.53234323 36.99977511 36.6091645 35.73151347 36.35222611 36.34200318 35.84895819 33.83477609 41.12439403 41.63378314 36.75854252 32.50187358 36.81169681 27.8340493 36.66177495 28.26710775 42.86682798 17.0479084 44.10144702 36.98808463 27.86936436 30.64960227 40.54034514 32.59998339 37.53685385 34.32169198 40.25939652 34.22435599 37.83456722 34.34555867 34.40426877 32.49998836 32.29842247 36.22659883 30.22740024 46.90620341 30.53736674 29.60788058 37.51965068 50.42577491 67.37745732 46.20644825 55.49487949 40.8696333 73.79942024 62.02193724 51.24540506 66.74284908 85.55274784 44.71715214 42.03131055 31.14735866 35.17204185 33.78649537 33.06572739 31.09820985 29.33626175 35.77709849 31.04086601 34.86970332 28.26937426 28.42515939 41.06970997 32.50646427 UDP-Glucuronic Acid 13.159609 21.94647278 14.07474821 20.82168739 13.07838447 19.41338067 12.22106168 21.04508925 16.05892271 25.22815599 16.99721552 24.34339952 15.40833994 21.16279663 16.29451565 20.26893231 16.1541429 17.53525878 13.47293355 20.366639 17.51499481 22.54044735 16.84369007 22.6020754 10.84452894 22.83687353 13.88272118 21.95417178 12.04597668 19.90038043 15.83672911 14.68485645 12.05329595 24.12472887 16.28161544 25.26602179 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Cytidine 5-triphosphate 35.67997552 32.33080396 29.76558823 26.35472013 24.98865619 26.17782981 25.32771312 28.63815314 31.62606371 34.86265804 33.10823034 33.90169073 24.82235234 30.56620411 34.76322944 28.05367553 35.16198471 24.89659355 29.21165837 27.83677129 34.06778081 33.5976768 32.08408139 31.31673303 228.8913464 76.93968759 46.4968495 36.12812203 38.53858199 32.2589108 34.85370183 29.73302656 28.6815959 29.06123904 42.93655671 32.02817859 36.18193767 6.398880349 1.418609376 0.706779481 0.241443411 0.07160758 0.187114488 0.137207332 0.067526919 0.258921704 0.030288546 0.080712387 0.011261003 309.5566631 51.96358762 10.24438748 2.329393492 0.681282628 0.22681731 0.80441933 1.077705058 0.347056452 0.105722092 0.51112 0.267375597 0.156164284 0.06090181 0.00871846 0.004618805 0.001331276 0.002074711 0.013074128 0.009761488 0.007761059 0.001127561 0.002243149 0.002998027 0.003157326 0.003457978 Deoxycytidine 5-triphosphate 1.384773924 0.980313197 1.145414507 0.74942032 0.58713864 0.866620524 0.658815531 0.898763895 1.02799134 0.482833112 1.015654995 0.669170222 0.56184207 0.428050055 0.664241642 0.435924988 0.584758054 0.419978458 0.556619586 0.381184966 0.59871343 0.443884967 0.676586177 0.466659857 3.037296876 2.280212278 2.729629899 3.252528828 3.465241919 3.059887447 2.138150489 2.196155001 2.580616401 3.281748634 2.092251571 3.723807186 1.60012992 0.469933022 0.320210158 0.225964012 0.205962038 0.197593799 0.249394434 0.199680458 0.22484691 0.224502651 0.194757505 0.20696049 0.211916316 6.484296883 2.187363651 2.271556368 2.114745335 2.236344443 2.125166986 2.57941877 1.983285418 1.902037952 1.825082915 1.843356835 1.930659993 1.862936178 0.014926107 0.009871696 0.011744209 0.009932601 0.013584414 0.008717006 0.010594784 0.014822821 0.009683161 0.010277706 0.011472861 0.011175981 0.011107538 Flavin adenine dinucleotide 0 0 0 0 0 0 0 0 1.018087597 0 0.439596176 0 1.298578944 1.175187084 1.225397551 1.004406277 1.341078413 0.921794518 0.9913273 1.019490732 1.316462473 1.156318175 1.18124632 1.340720601 0 0 0 0 0 0 0 0 0 0 0 0 0.330874837 0.289684988 0.295505595 0.283299133 0.28621463 0.397098624 0.289493519 0.296072582 0.290212012 0.283225983 0.285179849 0.296506015 0.29565249 2.854188889 2.84837898 3.024766727 2.847646638 2.891983154 2.86371846 2.834769643 2.916287359 2.839171574 3.048832425 2.847143255 2.969640987 2.832356877 0.046715127 0.030738364 0.029086736 0.029657108 0.030100916 0.029045008 0.029291191 0.043119138 0.03085299 0.029847652 0.032037056 0.029087618 0.031542475 Guanosine 5-triphosphate 121.4509331 122.6587952 128.5344881 135.474002 113.694817 123.8142675 95.774153 85.73661489 46.9706446 121.8763361 130.4896877 117.4750961 31.14314373 64.59837063 73.00302722 80.55725366 81.22666318 74.75062749 67.74753398 77.49437442 83.74675212 94.06843574 93.66226681 87.44539101 3971.679812 2138.58736 1213.929989 723.0772235 544.5336193 568.8782159 520.4316541 489.4985937 509.8474013 478.9852478 506.902299 457.8206482 207.2589827 146.2705116 78.06448575 36.80265352 4.124475548 3.176050759 1.794983991 2.8486811 1.374310595 1.375891834 1.074407135 1.017791086 2.593865753 1466.134518 803.939488 502.0333639 144.8261321 87.60424963 25.13553496 42.16307674 12.77607226 34.64768707 10.02146845 21.33454326 10.7737438 13.18576707 1.125426687 0.946173194 0.312992127 0.201989466 0.152023022 0.156960182 0.13646788 0.125545991 0.093682323 0.300800657 0.176732757 0.117174873 0.107554326 Phenylpyruvic acid 12.49984525 8.701021168 12.58296807 14.47723935 10.64917459 9.658087114 13.05710074 15.92404276 8.053822951 24.00622412 7.804442651 8.423054739 15.10327457 9.497607551 9.75619499 16.8058853 14.25155651 9.317794557 12.6723079 19.85267986 11.91442618 19.31812913 12.73851708 11.75703047 62.4319106 60.12286425 60.85159713 63.17925539 60.99922595 70.18050533 66.62771434 63.98149555 70.46148758 63.84554187 63.36322398 64.41530009 119.2786983 69.80980322 116.2361822 104.1943143 115.0518749 85.48624342 117.5313155 73.28425098 124.5790572 74.01966452 127.4945773 14.44168632 79.52859891 104.0703846 91.95445685 150.1801103 148.080669 154.1817093 97.48602301 236.8584191 127.1645509 103.6267499 194.0483519 135.6798914 66.6357133 116.3029582 110.3018041 64.83717791 107.3150916 82.75007965 109.4222448 70.06935976 112.8354939 26.36893435 111.0328806 77.65948773 9.227494165 108.9747245 71.29696871 Inosine 5-triphosphate 8.493894711 50.73835823 69.06299645 69.85745033 65.60895298 62.94620104 51.23656398 59.88057594 64.55095882 74.96762976 78.15780761 75.78219182 49.54391329 71.50445931 84.67656291 77.05997618 94.00697419 67.24988994 73.67231386 75.31626227 92.79663829 93.20704217 93.21893445 86.65085599 1181.861192 486.7962017 263.5121337 103.3067117 148.100041 99.99750255 134.8482927 111.6090818 99.23892783 53.60807851 103.8816224 124.6328175 14.71916087 6.359046657 4.922068854 5.160857558 4.655377815 4.750767998 4.453573579 4.52209691 4.773796736 4.470521411 4.664218558 4.488533921 4.532387877 492.2430189 174.7328125 47.20383436 47.33095316 44.92970347 44.98324081 46.58668961 44.89419019 45.41563421 45.44028811 45.29630104 45.3355351 47.01854442 0.59070733 0.429920318 0.430743416 0.4401827 0.430244262 0.471161755 0.436706533 0.433779283 0.449671524 0.427440734 0.448087304 0.433904469 0.431891456 Uridine 5-triphosphate 325.1423314 263.3405951 233.4599472 224.9996067 218.211416 202.7101009 200.3299672 210.354733 218.3914559 291.3984572 255.2951254 235.1107409 263.0136181 318.2441233 366.7152391 299.9829009 380.9665458 261.8993502 298.1963034 309.7404225 375.624931 407.4756549 382.3645289 346.1261994 3047.61928 836.102165 424.9890558 295.880293 279.9511623 239.7629408 268.3229886 218.7246486 196.4820899 305.5935087 312.9052462 277.5546335 448.9714218 83.21959291 18.33391621 4.080853462 0.028069455 0 0 0 0 0 0 0 0 4059.427237 737.8550272 169.9617858 27.97658611 3.413531102 0 0 0 0 0 0 0 1.09043571 0.619325121 0.520209458 0.474217911 0.473174067 0.470371328 0.467589376 0.479324795 0.477142643 0.484575729 0.444471785 0.44504533 0.444271021 2,3-BPG 13.05755618 109.8722029 18.17567134 166.3282633 1.734024499 188.0623327 28.96742187 106.9630217 0 114.5414856 44.87851815 165.3096457 3.872928737 121.9355805 16.8028318 193.0933999 5.603044604 216.2335539 26.06630058 100.3697361 0.829870989 74.92711066 30.33188427 200.5504324 0 77.01419078 0 179.3533198 0 163.3895511 0 50.37325823 0 101.5187575 0 153.4841746 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.262619012 0.303401446 0.336336601 0.371148625 0.264417281 0.262314618 0.232678328 0.30533709 0.277485169 0.250758014 0.236990715 0.320458815 0.24358783 2-Deoxyuridine 5-triphosphate 1.171577398 0.881655138 0.634593715 0.532229372 0.520581646 0.527049582 0.5462172 0.530517902 0.524864787 0.584944424 0.520509684 0.527414163 0.054181256 0.056446575 0.057376096 0.054528278 0.056144045 0.0529558 0.054808732 0.053575294 0.05523558 0.057043518 0.055934551 0.052888509 5.847410853 5.195399835 5.270936074 5.384366081 5.292155513 5.185879674 5.220283987 5.238787181 5.235909639 5.209343147 5.268123088 5.258304456 1.319331378 0.905648672 0.739929567 0.624945093 0.64148513 0.613683197 0.605618543 0.624212592 0.582873056 0.611831166 0.588097661 0.579735184 0.586589979 5.868194501 5.833098715 5.807116552 5.90625838 5.974103309 5.796143272 5.871407693 5.802532087 6.000058095 5.891967829 5.837841739 5.806245571 5.991196525 0.070348916 0.070632653 0.071511759 0.072677686 0.070102413 0.069993436 0.07051256 0.071575402 0.070739701 0.070833358 0.072424785 0.069938433 0.070154626 Adenosine 5-triphosphate 146.7863968 185.1853505 211.7517305 199.7840545 190.266813 167.2409814 176.2176276 192.7223442 195.7868533 240.995893 248.9336727 224.289361 150.5019585 215.738368 267.7206207 231.4075335 278.6641119 200.8539401 226.2694229 233.0950932 275.7755091 289.5605636 283.0579201 248.4371825 3504.418287 1428.195483 681.1085426 440.5380444 383.1663591 356.4151582 323.1291194 332.2346005 303.4531852 304.6020377 291.7711818 274.4929268 157.5241808 60.7214857 23.01462384 9.576313195 5.107787825 2.858155094 2.794082274 2.215427432 2.221437222 1.907941974 2.367830377 1.983267465 1.952274398 1261.339634 449.5585453 202.4740748 83.67488737 41.6757514 25.14052747 22.56216186 22.8356074 21.97904075 21.21007996 17.78054475 20.13622351 18.19218698 0.957538834 0.326215038 0.299270293 0.255156005 0.191092761 0.190600148 0.195577307 0.178917393 0.185999388 0.195278525 0.195353943 0.183727746 0.218660744 Deoxythymidine 5-triphosphate 4.593911005 3.489375844 3.369339944 2.951921166 2.999276719 2.886936486 2.82054112 2.960525419 3.174938426 2.94915498 3.262324525 3.218494342 1.905885099 2.206628187 2.890298889 2.180716755 2.820689023 1.975995541 2.326492936 2.224530137 2.882976608 2.620000838 2.81839319 2.513468591 28.38640807 20.74273475 18.21448264 19.37778181 18.47072135 17.9734765 19.28657444 18.39822817 18.80513381 19.14296476 18.47313581 18.33526814 3.054777594 1.419277932 1.076672219 0.933904426 0.864996289 0.848660718 0.841584717 0.846843299 0.852152173 0.827605017 0.857007672 0.826306361 0.85287662 14.05486745 9.212226249 8.361417319 8.282177374 8.339766661 8.494103765 8.338843102 8.353169791 8.316402735 8.308881287 8.302499941 8.258193972 8.247092169 0.091761732 0.091498446 0.091073968 0.091810697 0.09186097 0.091894365 0.093653525 0.090908884 0.092034777 0.090810452 0.09296907 0.093282024 0.090747031 2-Deoxyadenosine 5-triphosphate 8.03033016 5.503076121 3.224158735 3.683025405 3.419609384 3.327723734 3.836950493 3.484802974 3.309280665 3.351830249 3.862014334 3.233557971 0.530579304 0.696155697 0.772460187 0.787442243 0.721447696 0.745428014 0.616651588 0.687564357 0.679723474 0.826502457 0.685515276 0.743074215 33.56562255 32.77203651 34.65477366 32.03966008 32.36911333 31.96108423 32.70085792 32.47221245 33.69929829 32.57523643 32.18166027 31.99512887 8.174984202 5.093392857 3.516540043 3.417870048 3.276024215 3.243667994 3.248334243 3.265662833 3.223527401 3.155259259 3.160104318 3.193389824 3.188246106 33.27838891 33.03658949 33.37416516 31.6828532 31.84903266 32.01603846 31.79549512 31.94762715 31.53620013 32.06127656 31.69484993 32.04896125 32.14364627 0.189589415 0.187929907 0.188756244 0.190288184 0.200750125 0.185176863 0.185250694 0.186921105 0.187120346 0.187600926 0.187941114 0.202623949 0.185840892 2-3-Pyridinedicarboxylic acid 117.082127 115.9594361 76.03991274 122.6461119 110.6120578 115.058962 122.3589414 107.996146 127.7255982 110.9971399 0 117.6973397 9.855555205 0 0 0 10.77267799 8.628008811 0 0 0 11.54888686 0 10.46416987 885.9172754 1187.768238 0 1201.292334 1190.316794 1195.468635 0 1091.002006 1141.680795 1084.595909 0 1238.61127 0 0 0 2084.067756 0 242.649823 0 0 0 0 2014.247483 0 0 0 0 0 0 335.6151557 0 19222.80646 0 1376.060409 0 0 0 88.03870451 3.511751378 0 0 0 0 0 0 7.156169108 6.846089734 3.509568213 0 3.463453853 0 Coenzyme A 4.170406743 4.058690594 3.298389087 3.362724343 3.294710746 2.753575885 3.379970186 3.460220248 3.263407164 3.16895444 3.288942893 3.38553725 1.368436024 1.345749634 1.218015861 1.65746499 1.305885399 1.440403504 1.297130327 1.451862831 1.471399162 1.665502901 1.393982049 1.641879018 29.12494196 30.74201827 23.80292765 25.01470515 27.18267035 22.72059495 24.31617951 23.76654915 24.56858453 25.10033547 3.436954068 2.627632169 2.66457494 2.332745353 2.52137286 2.328196496 1.959239487 2.222182921 2.053273877 2.206779645 2.167466998 1.967844615 2.124098376 22.54250594 21.0995136 19.60010202 20.15902306 19.44546116 20.12638987 20.11960278 20.21717936 20.64548342 19.92605479 20.65401477 19.63917976 19.95510249 0.219662855 0.21718166 0.21714419 0.217054006 0.220109896 0.211873865 Acetyl-CoA 0.900308447 1.21184422 0.884958442 1.437382791 0.901295219 0.755027671 0.831378679 1.059481974 1.013982938 1.211204708 0.9717717 1.054827446 0.666012611 1.006570746 0.782958689 0.918714249 0.926045432 0.957670257 0.632363714 1.027414359 0.771585423 1.187104447 0.738716646 0.768513009 5.630596908 5.524634401 5.053189528 6.21676793 5.539949323 5.690559574 5.005491708 5.068750187 5.385078824 6.433952721 4.979613873 5.522731504 0.30003806 0.281200226 0.30855572 0.327310901 0.25197479 0.285681177 0.305134628 0.250616888 0.252564024 0.288624713 0.259397569 0.25262422 0.271795535 2.645097643 2.569345648 2.53337095 2.774823554 2.597232734 2.567615451 2.725361154 2.651549733 2.541516765 2.537168561 2.647402691 2.564920054 3.239301964 0.04235652 0.027471531 0.044969615 0.026698134 0.041792736 0.027834024 0.027504134 0.030304604 0.027839226 0.028479232 0.030118018 0.027075196 0.039243584 Malonyl-CoA Hydroxybutyryl-CoA 0 0 11.16144908 145.3098844 0 0 0 4235.226222 0 0 0 0 0 52.73422696 78.33476197 0 54.51269629 7.209488109 0 0 0 0 145.9510126 219.3241164 5575.412677 242.6776988 520.1708669 0 0 0 0 0 0 0 0 0 9.110352657 0 29.44208318 51.41746717 0 176.9799311 0 135.7214601 0 3.437476676 309.5620094 205.48014 0 225.5593899 4341.670563 0 0 248.4127414 0 460.8727562 354.1457284 409.88894 146.3141965 164.6601682 0 7.289160453 0 0 0 0 0 0 0 0 0 0 0 Propionyl- CoA 24.38190321 0 130.1793453 5.120800512 70.0562503 568.8048084 3.451223267 23.78694448 0 0 12.68557692 15.92459406 53.71735632 38.34511344 0 161.7756913 0 21.39651707 188.5236463 17.25175544 75.71578865 43.66729383 0 74.98299184 2505.77102 0 0 0 0 395.8986418 5886.162179 0 2083.42581 0 47.7073092 0 126.0215174 60.20438506 133.6483319 106.6610252 17.49540677 0 88.65418948 29.47603393 169.4641481 0 0 98.03821622 74.16061216 0 0 0 605.5910693 0 2632.301889 0 146.956298 338.7495388 700.0397045 8311.469407 57.11924923 0 68.24377534 55.35388165 66.3024057 68.7287105 27.05841988 47.73574482 53.28577256 6.389284943 23.20634537 15.84640674 63.63714532 47.41657141 71.70161333 Butyryl-CoA Isobutyryl-CoA 799.5771221 798.7167971 874.5773194 238.278414 182.1823106 882.9407503 817.0302792 581.2613978 0 587.280265 0 614.4034314 50.69172905 0 67.92519162 65.02050859 10.59549283 68.57114238 0 88.31722666 0 74.50728413 0 0 8557.816906 0 4597.602859 0 5641.439278 4407.453146 0 7758.92449 0 0 6987.669587 7957.630884 441.2409213 65.76553317 0 0 103.6797596 116.3846402 0 426.8870099 867.2009931 0 0 49.42180525 293.502563 5365.612122 1846.600012 4590.466106 15158.55621 0 2122.087284 3816.433295 6614.59774 223.8594993 2502.334459 0 9908.56246 2938.662507 32.85860809 32.18936499 30.70205404 31.5768668 25.55500127 0 31.54728548 27.16388185 0.843797962 21.49616527 26.04526836 27.81529626 30.98047365 Aceto-acetyl CoA Isovaleryl-CoA 1775.934811 0 1581.973502 0 1544.36942 1070.343295 1196.095371 1284.765472 1208.284913 0 1100.941969 1179.332163 82.12092501 39.2349556 93.26188783 56.93329028 177.9419191 0 0 159.421514 126.1358798 52.92268662 0 0 0 4401.550503 10725.19665 12297.34041 17508.98354 16680.43687 13360.86679 11154.99316 13455.5185 0 5844.534792 12783.15364 0 0 134.7967287 0 0 0 0 0 0 0 145.7224578 0 354.0844627 3397.418108 0 0 0 0 0 637.3849069 0 0 0 0 830.9829805 8966.911941 0 0 0 0 0 62.87402065 49.82484752 13.63564974 0 0 0 23.373321 0 Taurocholic acid 3.430577781 2.264749237 2.302101231 4.985491827 3.271523783 2.219212571 2.542725199 6.044642552 2.891686233 6.232881528 2.47911148 3.208326674 5.562278222 2.79188883 3.228679438 6.761711185 5.449164862 4.031939712 4.158324653 8.536095018 4.11945988 6.971364801 3.905680002 3.935399589 2.737219293 2.912011899 2.262503236 2.893902737 1.92846544 1.821886213 3.867080433 1.991161724 2.437640814 4.817072095 2.714690115 2.991173218 32.93719662 51.03756045 45.33653269 57.31938339 40.03772099 45.80063272 41.99076393 46.09889512 55.53951002 40.97210772 56.43739184 68.14497377 45.80099213 15.53535031 25.34925843 33.60594653 43.37953753 20.79832359 12.60008016 29.33407021 47.35295269 46.27634929 40.0817101 53.59296554 39.42127498 31.42327703 27.38168808 20.28775247 22.99439031 25.94771436 24.59379579 19.75154464 22.40770801 25.15595642 27.15843242 25.39303598 33.05147515 25.94740733 26.03518232 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID Galactosamine C02262 Arginine C00613 Thiamine C00378 Pyridoxamine C00534 Histidine C00135 Carnosine C00386 Asparagine C00152 Serine C00065 Cystathionine C00542 Carnitine C00487 Glutamine C00064 Homoserine C00263 Alanine/Sarcosine C00041 Cystine C00491 trans-4-Hydroxy-L-proline C01157 Hypotaurine C00519 Taurine C00245 5-Methylcytosine C02376 Threonine C00188 Hexoses C00031 Citrulline C00327 Disaccharide C00089 Pentose Alcohol C00379 Creatine C00300 Proline C00148 Pentoses C00121 Nicotinamide C00153 Cytosine C00380 Creatinine C00791 Allantoin C01551 2-Deoxy-ribose C01801 Homocysteine C05330 Homocystine C01817 Valine C00183 Uracil C00106 O-Phosphorylethanolamine C00346 Cytidine C00475 Methionine C00073 Hypoxanthine C00262 2-Deoxycytidine C00881 Guanine C00242 Xanthine C00385 Isoleucine C00407 Tyrosine C00082 Uridine C00299 AICAR C04677 Leucine C00123 Pyridoxine C00314 Pyridoxal C00250 2-Deoxyuridine C00526 Thymine C00178 Adenine C00147 Inosine C00294 2-Deoxyinosine C05512 Guanosine C00387 Kynurenine C00328 2-Deoxyguanosine C00330 2-Aminoadipic acid C00956 Phenylalanine C00079 Glutamic acid C00025 Aspartic Acid C00049 S-5-Adenosyl-L-homocysteine C00021 4-Hydroxyglutamic acid C03079 Thymidine C00214 Uric acid C00366 Galactonic acid C00880 Gluconic acid C00257 Glyceric acid C00258 Quinic acid C00296 N-Acetylneuraminic acid C00270 Adenosine C00212 2-Deoxyadenosine C00559 O-Succinyl-L-homoserine C01118 Creatine phosphate C02305 Dihydroorotic acid C00337 Lactic acid C01432 Glucose 6-phosphate C00092 Pyroglutamic acid C01879 alpha-D(+)Mannose 1-phosphate C00636 Tryptophan C00078 Ribose 5-phosphate C00117 Sedoheptulose-7-phosphate C05382 Erythrose 4-phosphate C00279 Fructose 6-phosphate C00085 gamma-Glu-Cys C00669 Xanthosine C01762 b-Hydroxy Butyric acid C00989 alpha-D-Glucose-1-phosphate C11450 Nicotinic acid mononucleotide C01185 Arabinose-5-phosphate C01112 Glutathione (reduced) C00051 N-Acetyl-alpha-D-glucosamine 1-phosphate C04501 Ribulose 5-phosphate C00199 Acetoacetate C00164 Xylulose-5-phosphate C00231 Orotic acid C00295 Erythro-Dihydrosphingosine C00836 N-Acetyl-D-glucosamine 6-phosphate C00357 2-Deoxyribose 5-phosphate C00673 Cytidine 5-monophosphate C00055 O-Phospho-L-Serine C01005 Pyruvic acid C00022 beta-Nicotinamide adenine dinucleotide C00003 Dihydroxyacetone phosphate C00111 2-Deoxycytidine 5-monophosphate C00239 Uridine 5-monophosphate C00105 AICAR-P C04896 Inosine 5-monophosphate C00130 Glyceraldehyde 3-phosphate C00661 5-Deoxy-5-(methylthio)adenosine C00170 Thymidine 5-monophosphate C00364 Nicotinic acid C00253 Adenosine 5-monophosphate C00020 Pantothenic acid C00864 2-Deoxyadenosine 5-monophosphate C00360 p-Hydroxybenzoic acid C00156 Malonic acid C00383 Riboflavin C00255 Maleic acid C01384 N-Formyl-L-Tyrosine C06049 Succinic acid C00042 Isopentenyl pyrophosphate C00129 5-Hydroxy-3-indoleacetic acid C05660 N-Carbamoyl-DL-aspartic acid C00438 Adenosine 3-5-cyclic monophosphate C00575 N-Carbamyl-L-glutamic acid C05829 Itaconic acid C00490 Glutathione (oxidized) C00127 m-Hydroxybenzoic acid C00156 Malic acid C00149 Hydroxyglutaric acid C02630 Citramalic acid C00815 Adipic acid C06104 N-Acetylaspartic acid C01042 N-Acetylglutamic acid C00624 UDP-Glucose / UDP-Galactose C00029 alpha-Ketoglutaric acid C00026 2-2-Dimethyl Succinic acid C02295 Cytidine 5-diphosphate C00112 4-Hydroxyphenyl-pyruvic acid C01179 UDP-NAc Glucosamine C00043 Ketovaleric acid C06255 2/3-Phosphoglyceric acid C00197 Fructose 1,6-biphosphate "C05378 " Uridine 5-diphosphate C00029 Guanosine 5-diphosphate C00035 Inosine 5-diphosphate C00104 2-Deoxycytidine 5-diphosphate C00705 Pyridoxal 5 phosphate C00018 Citric acid / Isocitric acid C00311 Phosphoenolpyruvic acid C00074 Homocitrate C01251 Isopentyl acetate C12296 Adenosine 5-diphosphate C00301 cis-Aconitic acid C00417 4-Pyridoxic acid C00847 Thymidine 5-diphosphate C00364 trans-Aconitic acid C02341 2-Isopropylmalic acid C02504 2-Deoxyadenosine 5-diphosphate C00206 Adenylosuccinic acid C03794 1,3-BPG C00236 O-Hydroxy hippuric acid C07588 Salicylic Acid C00805 o-Hydroxybenzoic acid C00805 UDP-Glucuronic Acid C19725 Cytidine 5-triphosphate C00063 Deoxycytidine 5-triphosphate C00458 Flavin adenine dinucleotide C00016 Guanosine 5-triphosphate C00044 Phenylpyruvic acid C00166 Inosine 5-triphosphate C00081 Uridine 5-triphosphate C00075 2,3-BPG C03339 2-Deoxyuridine 5-triphosphate C00460 Adenosine 5-triphosphate C00002 Deoxythymidine 5-triphosphate C00363 2-Deoxyadenosine 5-triphosphate C00131 2-3-Pyridinedicarboxylic acid C03722 Coenzyme A C00010 Acetyl-CoA C00024 Malonyl-CoA Hydroxybutyryl-CoA C01144 Propionyl- CoA C00100 Butyryl-CoA Isobutyryl-CoA C00136 Aceto-acetyl CoA Isovaleryl-CoA C00332 Taurocholic acid C05122 METABOLITES_END #END