#METABOLOMICS WORKBENCH njamshidi_20250709_222459 DATATRACK_ID:6151 STUDY_ID:ST004096 ANALYSIS_ID:AN006789 PROJECT_ID:PR002573 VERSION 1 CREATED_ON 12-29-2025 #PROJECT PR:PROJECT_TITLE The loss of Peroxiredoxin 2 in mice disrupts the biochemical aging phenotype in PR:PROJECT_TITLE erythrocytes PR:PROJECT_TYPE Targeted time course metabolomic profiles of red blood cells in vivo PR:PROJECT_SUMMARY Biochemical aging is a complex, multi-factorial process involving declines in PR:PROJECT_SUMMARY energy metabolism and the ability to maintain redox states over time. The PR:PROJECT_SUMMARY peroxiredoxin family of enzymes is critical for maintenance of cellular redox PR:PROJECT_SUMMARY states. In mice, enucleate mature red blood cells (RBC) have a lifespan of about PR:PROJECT_SUMMARY 50 days and thus provide an ideal cell to track cellular aging in vivo. In order PR:PROJECT_SUMMARY to characterize the consequence of compromised redox function, we assessed the PR:PROJECT_SUMMARY RBC metabolome at different time points using biotin labeling to isolate PR:PROJECT_SUMMARY specific RBC populations. 183 distinct metabolites were profiled and quantified PR:PROJECT_SUMMARY using mass spectrometry from cell populations of defined ages at approximately PR:PROJECT_SUMMARY 1, 2, and 3 weeks. Interestingly, the general patterns between RBC derived from PR:PROJECT_SUMMARY wildtype and Prdx2 knockout mice RBC were concordant with one another, with PR:PROJECT_SUMMARY significant alterations in ATP producing reactions, as well as redox maintenance PR:PROJECT_SUMMARY and membrane structure maintenance related metabolic reactions. However, most of PR:PROJECT_SUMMARY the age-related metabolite shifts seen in both wildtype and Prdx2 knockout RBC PR:PROJECT_SUMMARY over time were noted to be significantly more pronounced in the Prdx2 knockouts, PR:PROJECT_SUMMARY suggesting an ‘older’ biochemical age phenotype. PR:INSTITUTE Scripps Research Institute PR:LABORATORY Jeffrey Friedman PR:LAST_NAME Friedman PR:FIRST_NAME Jeffrey PR:ADDRESS 10550 North Torrey Pines Road La Jolla, CA 92037 PR:EMAIL njamshidi@mednet.ucla.edu PR:PHONE 310.794.1411 PR:FUNDING_SOURCE from NIH RO1 DK080232, R21 DK075763 and W8IXWH-10-2-0059 PR:PUBLICATIONS submitted PR:DOI http://dx.doi.org/10.21228/M82C09 PR:CONTRIBUTORS Edward D. Karoly, Robert Mohney #STUDY ST:STUDY_TITLE The loss of Peroxiredoxin 2 in mice leads to a disrupted biochemical aging ST:STUDY_TITLE phenotype in erythrocytes ST:STUDY_SUMMARY Biochemical aging is a complex, multi-factorial process involving declines in ST:STUDY_SUMMARY energy metabolism and the ability to maintain redox states over time. The ST:STUDY_SUMMARY peroxiredoxin family of enzymes is critical for maintenance of cellular redox ST:STUDY_SUMMARY states. In mice, enucleate mature red blood cells (RBC) have a lifespan of about ST:STUDY_SUMMARY 50 days and thus provide an ideal cell to track cellular aging in vivo. In order ST:STUDY_SUMMARY to characterize the consequence of compromised redox function, we assessed the ST:STUDY_SUMMARY RBC metabolome at different time points using biotin labeling to isolate ST:STUDY_SUMMARY specific RBC populations. 183 distinct metabolites were profiled and quantified ST:STUDY_SUMMARY using mass spectrometry from cell populations of defined ages at approximately ST:STUDY_SUMMARY 1, 2, and 3 weeks. Interestingly, the general patterns between RBC derived from ST:STUDY_SUMMARY wildtype and Prdx2 knockout mice RBC were concordant with one another, with ST:STUDY_SUMMARY significant alterations in ATP producing reactions, as well as redox maintenance ST:STUDY_SUMMARY and membrane structure maintenance related metabolic reactions. However, most of ST:STUDY_SUMMARY the age-related metabolite shifts seen in both wildtype and Prdx2 knockout RBC ST:STUDY_SUMMARY over time were noted to be significantly more pronounced in the Prdx2 knockouts, ST:STUDY_SUMMARY suggesting an ‘older’ biochemical age phenotype. ST:INSTITUTE Scripps Research Institute ST:LABORATORY Jeffrey Friedman ST:LAST_NAME Friedman ST:FIRST_NAME Jeffrey ST:ADDRESS 10550 North Torrey Pines Road La Jolla, CA 92037 ST:EMAIL njamshidi@mednet.ucla.edu ST:PHONE 310.794.1411 ST:SUBMIT_DATE 2025-07-09 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57/BL6 or Prdx2 knockout male mice from The Jackson Laboratory SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER The Jackson Laboratory #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - TSRI-00057 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_20; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_20; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_19 SUBJECT_SAMPLE_FACTORS - TSRI-00058 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_09r; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_09; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_08 SUBJECT_SAMPLE_FACTORS - TSRI-00059 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_33; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_33; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_32 SUBJECT_SAMPLE_FACTORS - TSRI-00060 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_16; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_16; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_15r SUBJECT_SAMPLE_FACTORS - TSRI-00065 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_23; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_23; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_22 SUBJECT_SAMPLE_FACTORS - TSRI-00066 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_29; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_29; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_28 SUBJECT_SAMPLE_FACTORS - TSRI-00067 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_25; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_25; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_24r SUBJECT_SAMPLE_FACTORS - TSRI-00068 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_07; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_07; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_06 SUBJECT_SAMPLE_FACTORS - TSRI-00073 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_12; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_12; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_11r SUBJECT_SAMPLE_FACTORS - TSRI-00074 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_21; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_21; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_20r SUBJECT_SAMPLE_FACTORS - TSRI-00075 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_13; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_13; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_12r SUBJECT_SAMPLE_FACTORS - TSRI-00076 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_37; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_37; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_36r SUBJECT_SAMPLE_FACTORS - TSRI-00081 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_25; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_25; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_24 SUBJECT_SAMPLE_FACTORS - TSRI-00082 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_16; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_16; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_15 SUBJECT_SAMPLE_FACTORS - TSRI-00083 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_21; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_21; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_20 SUBJECT_SAMPLE_FACTORS - TSRI-00084 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_15; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_15; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_14r SUBJECT_SAMPLE_FACTORS - TSRI-00041 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_33; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_33; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_32 SUBJECT_SAMPLE_FACTORS - TSRI-00042 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_15; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_15; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_14 SUBJECT_SAMPLE_FACTORS - TSRI-00043 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_22; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_22; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_21 SUBJECT_SAMPLE_FACTORS - TSRI-00044 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_36; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_36; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_35 SUBJECT_SAMPLE_FACTORS - TSRI-00049 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_14; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_14; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_13 SUBJECT_SAMPLE_FACTORS - TSRI-00050 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_07r; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_07; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_06r SUBJECT_SAMPLE_FACTORS - TSRI-00051 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_08; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_08; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_07 SUBJECT_SAMPLE_FACTORS - TSRI-00052 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_28; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_28; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_27r SUBJECT_SAMPLE_FACTORS - TSRI-00053 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_08r; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_08; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_07r SUBJECT_SAMPLE_FACTORS - TSRI-00054 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_31; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_31; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_30 SUBJECT_SAMPLE_FACTORS - TSRI-00055 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_17; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_17; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_16 SUBJECT_SAMPLE_FACTORS - TSRI-00056 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_14; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_14; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_13r SUBJECT_SAMPLE_FACTORS - TSRI-00061 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_37; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_37; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_36 SUBJECT_SAMPLE_FACTORS - TSRI-00062 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_38; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_38; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_37 SUBJECT_SAMPLE_FACTORS - TSRI-00063 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_32; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_32; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_31 SUBJECT_SAMPLE_FACTORS - TSRI-00064 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_30; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_30; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_29 SUBJECT_SAMPLE_FACTORS - TSRI-00069 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_17; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_17; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_16 SUBJECT_SAMPLE_FACTORS - TSRI-00070 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_32; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_32; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_31 SUBJECT_SAMPLE_FACTORS - TSRI-00071 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_31; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_31; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_30 SUBJECT_SAMPLE_FACTORS - TSRI-00072 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_20; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_20; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_19 SUBJECT_SAMPLE_FACTORS - TSRI-00077 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_30; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_30; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_29 SUBJECT_SAMPLE_FACTORS - TSRI-00078 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_28; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_28; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_27 SUBJECT_SAMPLE_FACTORS - TSRI-00079 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_23; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_23; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_22 SUBJECT_SAMPLE_FACTORS - TSRI-00080 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_29; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_29; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_28 SUBJECT_SAMPLE_FACTORS - TSRI-00037 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_13; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_13; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_12 SUBJECT_SAMPLE_FACTORS - TSRI-00038 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_22; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_22; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_21 SUBJECT_SAMPLE_FACTORS - TSRI-00039 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_24; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_24; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_23 SUBJECT_SAMPLE_FACTORS - TSRI-00040 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_12; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_12; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_11 SUBJECT_SAMPLE_FACTORS - TSRI-00045 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_24; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_24; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_23 SUBJECT_SAMPLE_FACTORS - TSRI-00046 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_36; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_36; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_35 SUBJECT_SAMPLE_FACTORS - TSRI-00047 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_38; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_38; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_37 SUBJECT_SAMPLE_FACTORS - TSRI-00048 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_06; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_06; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_05r #COLLECTION CO:COLLECTION_SUMMARY RBC of defined age were isolated using streptavidin-magnetic beads and LD CO:COLLECTION_SUMMARY columns (Miltenyi, Auburn, CA) to pull down biotin labeled cells for comparative CO:COLLECTION_SUMMARY biochemical studies. 100 μl of streptavidin beads were added to a variable CO:COLLECTION_SUMMARY volume of saline washed, packed red cells. The volume of packed cells used CO:COLLECTION_SUMMARY ranged between 150— 600 μl, depending upon the percentage of biotinylated CO:COLLECTION_SUMMARY cells in the sample. In order to increase the fraction of biotin - cells CO:COLLECTION_SUMMARY available at day 8, animals for this point were phlebotomized 1 day after biotin CO:COLLECTION_SUMMARY labeling to stimulate production of new cells prior to harvest at day 8. In each CO:COLLECTION_SUMMARY separation, a total of 100 μl of biotin labeled cells was targeted for CO:COLLECTION_SUMMARY purification. Cells were distributed to those analyses requiring viable cells, CO:COLLECTION_SUMMARY with the remaining cells stored at -80°C until used for metabolomics. Mean CO:COLLECTION_SUMMARY purity of all Biotin+ samples was 96.4% and 87% in all Biotin- samples. Purity CO:COLLECTION_SUMMARY was determined by FACS analysis following staining with a streptavidin:PE CO:COLLECTION_SUMMARY conjugate (Southern Biotech). CO:SAMPLE_TYPE Erythrocytes CO:COLLECTION_METHOD venipuncture CO:COLLECTION_LOCATION Described in summary CO:COLLECTION_FREQUENCY Described in summary CO:VOLUMEORAMOUNT_COLLECTED Described in summary CO:STORAGE_CONDITIONS Described in summary #TREATMENT TR:TREATMENT_SUMMARY Biotin labeling was done using a single intravenous injection (100 μl) of TR:TREATMENT_SUMMARY sulfo-NHS-ester biotin suspended in sterile saline at a concentration of 4mg/ml TR:TREATMENT_SUMMARY 28,29. Once labeled, RBC survival was followed at intervals by staining a small TR:TREATMENT_SUMMARY (1-5 μl) blood sample with an avidin-conjugated fluorophore and determining the TR:TREATMENT_SUMMARY fraction of labeled cells remaining by flow cytometry (FACS). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In each separation, a total of 100 μl of biotin labeled cells was targeted for SP:SAMPLEPREP_SUMMARY purification. Cells were distributed to those analyses requiring viable cells, SP:SAMPLEPREP_SUMMARY with the remaining cells stored at -80°C until used for metabolomics. Mean SP:SAMPLEPREP_SUMMARY purity of all Biotin+ samples was 96.4% and 87% in all Biotin- samples. The SP:SAMPLEPREP_SUMMARY sample preparation process was carried out using the automated MicroLab STAR SP:SAMPLEPREP_SUMMARY system from Hamilton Company. Recovery standards were added prior to the first SP:SAMPLEPREP_SUMMARY step in the extraction process for QC purposes. Sample preparation was conducted SP:SAMPLEPREP_SUMMARY using a proprietary series of organic and aqueous extractions to remove the SP:SAMPLEPREP_SUMMARY protein fraction while allowing maximum recovery of small molecules. The SP:SAMPLEPREP_SUMMARY resulting extract was divided into two fractions; one for analysis by LC and one SP:SAMPLEPREP_SUMMARY for analysis by GC. Samples were placed briefly on a TurboVap to remove the SP:SAMPLEPREP_SUMMARY organic solvent. Each sample was then frozen and dried under vacuum. Samples SP:SAMPLEPREP_SUMMARY were then prepared for the appropriate instrument, either LC/MS or GC/MS. For SP:SAMPLEPREP_SUMMARY QA/QC purposes, a number of additional samples are included with each day’s SP:SAMPLEPREP_SUMMARY analysis. Furthermore, a selection of QC compounds is added to every sample, SP:SAMPLEPREP_SUMMARY including those under test. These compounds are carefully chosen so as not to SP:SAMPLEPREP_SUMMARY interfere with the measurement of the endogenous compounds. These QC samples SP:SAMPLEPREP_SUMMARY includes: 1) large pool of human plasma samples maintained by Metabolon, 2) pool SP:SAMPLEPREP_SUMMARY created from a small specific aliquot from this experiment, 3) aliquot of SP:SAMPLEPREP_SUMMARY ultra-pure water, 4) aliquot of solvents used in the extractions. These QC SP:SAMPLEPREP_SUMMARY samples are primarily used to evaluate the process control for each study as SP:SAMPLEPREP_SUMMARY well as aiding in the data curation. SP:SAMPLEPREP_PROTOCOL_FILENAME TSRI-01-22VW_methods.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS See protocol file SP:PROCESSING_METHOD See protocol file SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACTION_METHOD See protocol file SP:EXTRACT_ENRICHMENT See protocol file SP:SUBCELLULAR_LOCATION Cytosol #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Acidic extracts CH:METHODS_FILENAME TSRI-01-22VW_methods.pdf CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:COLUMN_TEMPERATURE 40 CH:FLOW_GRADIENT Linear gradient from 5% B to 80% B over 3.35 minutes. CH:FLOW_RATE 350 microL/min CH:SOLVENT_A 100% water; 0.1% Formic acid CH:SOLVENT_B 100% methanol; 0.1% Formic acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE TSRI-01-22VW_methods.pdf #MS MS:INSTRUMENT_NAME Thermo-Finnigan LTQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:MS_COMMENTS Acidic MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts MS_METABOLITE_DATA_START Samples TSRI-00057 TSRI-00058 TSRI-00059 TSRI-00060 TSRI-00065 TSRI-00066 TSRI-00067 TSRI-00068 TSRI-00073 TSRI-00074 TSRI-00075 TSRI-00076 TSRI-00081 TSRI-00082 TSRI-00083 TSRI-00084 TSRI-00041 TSRI-00042 TSRI-00043 TSRI-00044 TSRI-00049 TSRI-00050 TSRI-00051 TSRI-00052 TSRI-00053 TSRI-00054 TSRI-00055 TSRI-00056 TSRI-00061 TSRI-00062 TSRI-00063 TSRI-00064 TSRI-00069 TSRI-00070 TSRI-00071 TSRI-00072 TSRI-00077 TSRI-00078 TSRI-00079 TSRI-00080 TSRI-00037 TSRI-00038 TSRI-00039 TSRI-00040 TSRI-00045 TSRI-00046 TSRI-00047 TSRI-00048 Factors Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 1-linoleoylglycerophosphocholine 24939.8000 81820.8000 70598.7000 149588.0000 19096.6000 146064.4000 29442.8000 89684.4000 45017.8000 55632.3000 67477.6000 34451.5000 28280.9000 67477.6000 51508.1000 115184.9000 119091.6000 1-oleoylglycerophosphocholine 42226.7000 65046.3000 75793.1000 126951.9000 165226.5000 234635.8000 84351.7000 65231.5000 165099.4000 193711.4000 159658.8000 312424.8000 41265.0000 41941.2000 84310.0000 82920.0000 133105.8000 274093.9000 87856.4000 88764.2000 126951.9000 126843.3000 172549.7000 141897.0000 95478.9000 219992.1000 60261.9000 59516.0000 75040.2000 90944.4000 150299.1000 188605.4000 191088.5000 45504.7000 59297.4000 71663.1000 151226.6000 195787.9000 369159.8000 332419.9000 1-palmitoylglycerophosphocholine 165643.8000 468991.2000 534075.1000 759660.9000 781266.5000 917560.8000 1263563.4000 30983.0000 72199.4000 773509.3000 533687.0000 871423.6000 1189612.0000 1103424.0000 1395528.0000 428067.3000 344289.8000 602273.6000 811075.9000 694094.0000 52358.9000 1210919.6000 671229.7000 229342.2000 790982.8000 787357.7000 728986.5000 1021660.3000 809546.2000 556754.6000 959985.7000 738136.9000 587259.1000 526506.4000 58860.0000 823967.6000 974316.1000 1112097.4000 866470.6000 284871.5000 413494.5000 591117.8000 480954.3000 1052802.3000 1361619.6000 1415320.8000 1479991.8000 1-stearoylglycerophosphocholine 593220.9000 103630.4000 101310.4000 488944.2000 512963.9000 148208.5000 483423.2000 258848.2000 415051.6000 280411.4000 147096.4000 492410.2000 112374.0000 134323.1000 256920.1000 176100.9000 156793.1000 78324.6000 115249.8000 58306.5000 269165.7000 696732.0000 312267.4000 534737.6000 419500.5000 105962.2000 166536.5000 190576.5000 155892.9000 202822.1000 455697.8000 96710.7000 366894.7000 539150.3000 286169.0000 173747.2000 96519.4000 90471.3000 76757.0000 127829.7000 1269641.0000 673571.5000 2-aminoadipate 120532.6000 160990.1000 100857.1000 143352.8000 140563.1000 183720.0000 126053.3000 178628.8000 94555.9000 83897.3000 98123.7000 87642.5000 129105.2000 119480.0000 122944.9000 110589.5000 102052.0000 108679.0000 136600.3000 97403.9000 130349.8000 99826.7000 129417.2000 103300.2000 129729.1000 106108.1000 104274.7000 140325.0000 127908.4000 104105.6000 79135.5000 108679.0000 99915.1000 97662.8000 98613.7000 119803.0000 87285.3000 121132.1000 130111.7000 105970.8000 96051.8000 88996.6000 81307.4000 101046.7000 111523.3000 72338.5000 93447.8000 153487.7000 2-arachidonoylglycerophosphocholine* 64084.6000 280998.5000 276729.0000 266486.5000 336474.5000 335817.0000 490301.7000 218503.0000 159302.7000 216323.8000 410556.4000 381363.5000 449213.6000 26018.0000 142347.1000 172370.7000 153942.8000 366026.4000 282485.8000 18383.4000 363085.8000 257530.7000 123338.3000 337805.7000 329036.9000 233563.5000 474554.3000 226198.7000 304238.2000 247109.9000 312813.9000 178789.9000 300157.4000 18249.4000 300522.5000 337726.1000 424794.9000 286755.3000 116631.5000 142298.3000 187972.5000 153076.1000 324400.0000 353919.5000 378117.3000 454414.9000 2-arachidonoylglycerophosphoethanolamine* 628503.1000 2778335.0000 2507996.5000 2778335.0000 3008471.3000 3946983.8000 4234331.5000 117936.6000 240814.2000 3161948.0000 1726377.3000 2368054.0000 3560032.3000 3728981.0000 3825056.8000 88938.4000 2219304.8000 2122390.5000 2337762.8000 4026857.8000 3296713.5000 111615.8000 3906741.5000 3323471.3000 1097431.9000 2922959.5000 2271062.3000 2361282.5000 4273253.0000 2986809.5000 3356612.8000 3205676.0000 3177530.8000 2154533.5000 2634402.3000 185132.7000 2595468.0000 2223289.0000 3658740.5000 3196893.3000 1496578.9000 1795646.3000 2804100.3000 2378054.3000 4096289.3000 4729489.0000 4852380.0000 4399957.0000 2-docosahexaenoylglycerophosphoethanolamine* 332370.8000 1560484.4000 1391959.4000 1316791.3000 1343878.8000 1201300.8000 1322090.8000 31406.6000 121864.2000 1711796.0000 811640.7000 1362556.4000 1338277.5000 976374.1000 1191696.0000 28683.4000 941650.7000 751071.4000 993962.3000 1940080.9000 820735.4000 30230.1000 1291498.0000 1110271.3000 691140.5000 1825045.5000 1412094.0000 1177809.4000 1717586.4000 1180007.0000 989919.1000 1039507.9000 1702090.0000 1347279.3000 1450671.8000 98880.7000 1208978.1000 1072190.9000 1353050.5000 1201300.8000 619537.4000 682556.4000 1432354.5000 961268.3000 1295082.3000 1531995.4000 1650732.3000 1194796.9000 2-docosapentaenoylglycerophosphoethanolamine* 87250.0000 389821.8000 218149.8000 255533.9000 361255.6000 297417.0000 371515.0000 124051.5000 243569.5000 228400.5000 287978.0000 275559.4000 202583.3000 196737.9000 136273.3000 356836.7000 157121.7000 167127.9000 207314.6000 88063.6000 320604.7000 336174.3000 207669.0000 408234.5000 267366.7000 314903.6000 260603.4000 328891.3000 227705.5000 215766.2000 290239.0000 205024.1000 246262.6000 233377.2000 90104.6000 197735.3000 249504.6000 197840.2000 274477.0000 498066.5000 321362.5000 281874.7000 2-linoleoylglycerophosphocholine* 300540.4000 306148.4000 320465.3000 478002.2000 558924.1000 55245.3000 186360.7000 411231.8000 467918.2000 761131.3000 35471.3000 261880.2000 212503.1000 551595.8000 326361.5000 422326.6000 254198.1000 152989.8000 454095.3000 524288.6000 330414.3000 231267.8000 305834.8000 289922.3000 407537.8000 352391.0000 465627.6000 259318.6000 409394.2000 306421.4000 136306.1000 304819.3000 313609.0000 402650.7000 534903.1000 2-methylbutyroylcarnitine 30543.9000 22664.2000 41809.6000 27104.9000 46931.3000 34194.9000 16408.8000 41289.5000 38281.2000 50827.3000 41957.6000 26680.3000 17884.7000 41547.9000 38647.1000 37893.6000 23905.5000 40725.5000 43944.2000 37140.1000 54059.8000 2-oleoylglycerophosphocholine* 41361.1000 151395.0000 154688.5000 190858.7000 239930.8000 275020.3000 342234.8000 245083.9000 131186.5000 210532.5000 331999.9000 431237.2000 455452.1000 87782.6000 78092.7000 122352.0000 244131.8000 226358.5000 296218.7000 226390.6000 72998.8000 225006.3000 257763.9000 190758.3000 245341.0000 218461.5000 179205.5000 232524.2000 181095.1000 172497.3000 166563.6000 210499.7000 247846.1000 250539.4000 202961.5000 77681.9000 86962.9000 157432.5000 158464.7000 257797.1000 314772.1000 329696.4000 404466.2000 2-oleoylglycerophosphoethanolamine* 295544.1000 812210.5000 524302.1000 782923.9000 580370.2000 441859.9000 524748.1000 18780.9000 106729.8000 1033898.4000 540828.4000 737825.5000 619405.6000 652112.3000 517464.8000 553193.1000 520441.7000 564099.3000 678890.4000 321768.2000 300455.2000 189436.7000 331789.1000 989668.5000 951582.4000 758585.3000 514666.1000 440381.8000 305889.7000 390593.5000 936557.8000 738368.8000 564902.3000 42744.7000 542112.6000 529196.2000 517643.1000 378740.3000 293438.4000 436456.1000 634898.4000 451426.8000 292685.0000 407020.9000 336328.9000 290947.1000 2-palmitoylglycerophosphocholine* 139557.9000 564332.4000 548216.5000 522049.4000 650071.8000 813714.9000 38281.1000 297316.9000 537256.1000 622621.3000 495525.8000 719665.8000 432484.8000 278284.6000 414479.4000 729032.8000 533497.0000 480984.7000 232329.1000 640786.6000 649736.8000 524383.4000 798140.0000 570485.3000 509672.9000 611835.3000 553172.6000 497430.3000 568198.9000 27668.3000 536775.1000 598636.9000 545118.8000 488911.7000 195650.1000 277912.3000 521063.1000 381512.2000 597734.0000 751158.6000 923236.6000 651288.8000 2-palmitoylglycerophosphoethanolamine* 279973.8000 244369.8000 287007.1000 286242.6000 401831.9000 338770.3000 342942.7000 370338.7000 213783.0000 315349.5000 232633.6000 280409.9000 365653.8000 282780.1000 250200.7000 228297.3000 403039.6000 155962.7000 103389.3000 258229.4000 205540.6000 90570.6000 318765.6000 318592.6000 270750.1000 267059.5000 286611.7000 297402.2000 250700.7000 204194.0000 318385.1000 261613.6000 100432.4000 229492.9000 314141.0000 261061.4000 278866.4000 104190.4000 170754.8000 261318.4000 187023.0000 274440.6000 321820.1000 491866.8000 373614.3000 2-stearoylglycerophosphocholine* 35865.8000 22451.3000 30775.1000 37813.8000 45799.3000 31954.5000 36695.3000 48401.5000 26630.3000 39486.5000 17410.8000 34998.6000 24268.3000 36733.0000 3-dehydrocarnitine* 657398.6000 502279.1000 695505.9000 1088309.9000 2107432.0000 1795302.3000 2996896.3000 3922346.0000 344183.1000 260390.0000 543812.1000 326715.8000 1450528.1000 1201363.9000 1839906.8000 1201363.9000 530718.9000 676688.6000 899454.9000 931783.6000 2302429.5000 2222107.8000 3970852.8000 2875210.3000 524085.6000 444834.8000 983574.9000 912017.0000 1738196.3000 1509396.1000 1940725.6000 2415114.3000 560679.8000 467979.6000 566452.6000 858220.1000 1515610.8000 1995366.0000 2278631.3000 2274806.5000 524262.4000 439728.3000 915817.6000 1012337.3000 3180655.0000 1614359.8000 3926081.8000 5721828.0000 3-ureidopropionate 49122.7000 48668.5000 35395.9000 60413.4000 44500.9000 48915.6000 40042.7000 65577.9000 27896.0000 31239.9000 24742.6000 38806.9000 35172.2000 114101.3000 34450.6000 58582.5000 28091.0000 48500.4000 42868.3000 64486.8000 42620.5000 53666.8000 53661.5000 56275.1000 78812.4000 76148.6000 48713.2000 51278.7000 51932.1000 69253.6000 59607.6000 45581.5000 55441.7000 43058.1000 48332.3000 64434.3000 65060.8000 30198.7000 12473.6000 18433.2000 25889.0000 28065.6000 16578.2000 33960.2000 44458.0000 5-methylthioadenosine (MTA) 46533.8000 54302.5000 60258.3000 65695.1000 118909.3000 132623.6000 121925.7000 133914.6000 37236.0000 30881.2000 54571.5000 43452.3000 145861.1000 107110.8000 164894.5000 205087.2000 60927.1000 62023.1000 62019.4000 73290.0000 104049.5000 120411.9000 139256.1000 133131.7000 92861.8000 112939.3000 89464.6000 96604.5000 176154.0000 155193.4000 127684.4000 167182.5000 81620.3000 69006.8000 84467.4000 81357.3000 128573.5000 123557.1000 124247.7000 127654.8000 73196.0000 76847.0000 93323.8000 94290.3000 150242.8000 124467.0000 149396.0000 158428.6000 5-oxoproline 91968.4000 101668.6000 125776.1000 81039.7000 288616.9000 386839.8000 353355.0000 258413.3000 68062.7000 62120.8000 96749.6000 112930.8000 385173.2000 355493.6000 351755.1000 271396.0000 115308.0000 127420.2000 130748.1000 127845.3000 374225.8000 388852.3000 432531.3000 409534.0000 101868.7000 75468.3000 137957.0000 100688.3000 263592.3000 191153.8000 191153.8000 250952.7000 113096.9000 108867.4000 99165.9000 104729.2000 216910.3000 247019.1000 233453.8000 220655.7000 84314.4000 110155.0000 110126.8000 126369.3000 437633.1000 265920.3000 373799.3000 397760.6000 acetylcarnitine 1362692.3000 1358552.1000 1015794.6000 1200652.9000 6111156.5000 6905583.5000 6654834.5000 7138393.0000 1741264.9000 1054811.9000 1276753.8000 1223676.3000 9173069.0000 7527971.0000 7686282.5000 5490712.5000 2103268.5000 2612766.5000 1967504.5000 1779985.9000 9798727.0000 10121454.0000 9834350.0000 7373708.5000 985572.8000 710514.1000 1517904.9000 888570.4000 8741844.0000 6223480.0000 6675228.0000 6193717.0000 847738.4000 711604.8000 541251.8000 903277.1000 6037168.0000 6863128.0000 5529682.5000 5618346.0000 1913424.5000 2210191.0000 1764847.1000 2031902.0000 13848091.0000 9834544.0000 13175389.0000 14755651.0000 adenosine 5^-diphosphate (ADP) 167360.6000 197486.5000 191980.2000 327493.8000 503135.6000 361799.0000 435644.0000 418317.6000 109518.9000 165724.1000 153574.9000 286041.0000 293604.4000 329135.2000 685556.0000 99347.4000 212431.8000 108421.5000 121406.8000 652206.1000 224819.7000 569424.8000 256054.4000 178059.5000 206014.6000 242863.4000 211820.0000 387166.6000 249781.2000 243506.2000 240971.5000 184175.0000 211820.0000 195784.7000 168112.3000 157105.3000 197708.8000 168581.5000 160617.8000 165433.3000 158903.5000 272198.6000 170983.5000 476015.9000 369107.3000 178169.9000 279118.1000 adenosine 5^-monophosphate (AMP) 2646113.8000 1891656.3000 1170973.3000 2622687.3000 3451297.8000 2617874.0000 2478212.8000 5059902.5000 959658.7000 487894.4000 658224.8000 715261.6000 1248549.3000 1665800.0000 1476581.4000 2565153.5000 193638.8000 814011.1000 326607.5000 495644.1000 2440670.0000 2470282.8000 1573989.6000 878411.7000 941055.4000 391613.4000 630451.2000 592615.3000 754310.3000 450832.9000 741945.4000 648479.8000 566725.1000 793407.9000 941055.4000 1081338.5000 607241.8000 1520900.8000 858620.1000 892916.8000 893696.3000 438825.0000 1061003.9000 1150904.8000 2243985.0000 829804.3000 518211.4000 2179532.3000 betaine 1064734.3000 1240182.6000 840409.3000 916313.6000 2205273.8000 3116760.5000 2172177.8000 1774547.1000 1526766.9000 1324985.0000 1405789.6000 1128632.0000 4184521.0000 3880149.5000 3274489.5000 4474227.5000 934869.7000 1260188.8000 1097133.6000 965641.1000 2540288.3000 3303632.5000 3418226.0000 2404543.5000 1297714.9000 1138786.3000 2212725.0000 1283843.3000 2594036.0000 2260807.8000 3001229.8000 2520252.5000 916838.1000 1097170.8000 928740.9000 1415807.8000 1650797.6000 2723123.8000 1869912.0000 2283317.8000 1795931.3000 2126671.5000 1673880.6000 1783800.5000 5125951.0000 4937872.0000 3679515.5000 5146957.5000 biopterin 19652.4000 19062.4000 54939.4000 107655.6000 97644.3000 70509.6000 78385.5000 78725.1000 86552.1000 49524.5000 26373.5000 22144.5000 23565.9000 29370.9000 71214.5000 91514.4000 116057.2000 90198.9000 30950.4000 49761.6000 55757.1000 34420.8000 68051.2000 44117.1000 71992.8000 61172.0000 48427.4000 24398.6000 30048.0000 20723.2000 66956.0000 69354.3000 80361.2000 101662.1000 butyrylcarnitine 63221.1000 77428.9000 77432.1000 59707.6000 97544.8000 76833.4000 90579.5000 76830.2000 110068.9000 131172.8000 173809.2000 139909.8000 64713.1000 55263.1000 69860.6000 57311.9000 35470.2000 66054.3000 45235.6000 51145.8000 130755.9000 136338.8000 123163.8000 165974.8000 carnitine 69257.5000 76727.2000 49590.6000 62744.7000 1006486.8000 2121927.8000 1430192.9000 1380961.5000 129311.8000 76789.4000 115969.0000 93096.2000 2520304.0000 2256656.8000 2061995.3000 994819.7000 134511.8000 190514.4000 178791.8000 150278.3000 2378363.5000 2708943.8000 2470039.0000 1859681.1000 109636.9000 73590.4000 145242.2000 113016.7000 1595072.8000 1237729.0000 1264077.3000 1663024.1000 101422.7000 102135.3000 73535.3000 123286.4000 1018159.9000 1488098.3000 1094963.6000 1195373.1000 305178.3000 323428.4000 225165.0000 309116.1000 3655299.0000 2419465.0000 2601744.8000 3381434.5000 choline 545702.4000 535668.1000 409459.3000 605983.3000 4874958.5000 4679052.5000 4784997.5000 4565529.5000 418626.5000 338093.8000 585343.9000 396791.4000 3643143.8000 3508740.5000 4390835.5000 2472567.5000 662364.7000 914275.4000 1119645.9000 1559864.3000 4160182.0000 4773392.5000 9045089.0000 8363938.0000 552142.4000 487748.1000 1150695.1000 825543.4000 3607126.8000 2664343.0000 2695728.8000 4186661.0000 437310.8000 456082.0000 494774.1000 827022.6000 3087536.0000 3792819.5000 4445679.5000 4020440.3000 871329.9000 779371.1000 992292.7000 1152748.4000 5605188.5000 2472567.5000 5493114.0000 7195610.0000 cis-4-decenoyl carnitine 40440.6000 43103.2000 47778.5000 53492.4000 86209.3000 65368.7000 65726.8000 41780.5000 110815.1000 115175.2000 148276.6000 100294.1000 56384.0000 51535.9000 56025.9000 72266.2000 35286.8000 38000.6000 33919.4000 35711.3000 151532.7000 113269.9000 173768.5000 159236.5000 citrulline 355725.4000 351821.6000 315940.6000 348212.8000 361609.6000 323176.2000 328893.5000 396114.3000 259980.5000 285230.2000 235876.1000 257831.7000 238256.3000 310470.7000 257961.5000 307748.3000 309676.3000 325909.6000 304077.3000 321179.9000 259408.9000 251348.0000 214846.0000 242932.6000 322714.6000 349017.7000 310869.7000 339214.8000 313201.1000 304077.3000 234553.3000 262831.4000 273143.0000 397111.7000 354984.3000 344296.0000 265002.1000 383160.5000 342427.0000 302949.6000 288726.0000 263129.8000 297934.6000 304824.8000 253703.2000 185350.8000 218527.5000 223293.1000 creatine 916367.1000 931157.6000 783263.8000 980481.5000 891910.8000 770179.8000 751638.6000 979852.3000 901229.6000 909044.7000 1036788.8000 818821.9000 784435.5000 810836.7000 822893.9000 851177.4000 694686.2000 847158.6000 837661.1000 681545.0000 603232.9000 617308.2000 685355.4000 587864.1000 840232.2000 783263.8000 1117397.4000 998632.3000 601389.8000 591837.7000 640508.0000 713689.1000 1005808.0000 832853.1000 748871.8000 919767.4000 779467.5000 775597.8000 697626.3000 672832.9000 760213.9000 714707.5000 773561.7000 888542.1000 671220.9000 481952.8000 544776.6000 731861.4000 creatinine 28985.6000 25131.1000 20094.6000 56568.3000 13063.0000 34532.2000 25514.4000 27861.1000 18502.3000 30605.0000 41656.6000 40418.8000 56368.7000 24046.7000 29125.3000 36696.9000 36902.5000 45486.9000 23537.3000 25225.8000 32896.6000 14167.6000 33943.3000 39902.9000 39084.3000 35383.6000 29140.6000 22379.2000 42907.7000 32365.1000 41893.4000 33714.4000 26185.0000 34758.1000 37934.9000 cytidine 86847.2000 90990.6000 46593.4000 106123.8000 48072.3000 80267.9000 77376.6000 78561.6000 52840.9000 76855.3000 50336.6000 38522.0000 114851.1000 cytidine 5^-monophosphate (5^-CMP) 25957.9000 51171.7000 50991.4000 37000.5000 37677.2000 67485.9000 48515.1000 65014.2000 68031.7000 54208.5000 42481.8000 47605.8000 47397.2000 63969.1000 35288.7000 27918.1000 87824.4000 50262.4000 76456.0000 123109.4000 decanoylcarnitine 46604.5000 89879.7000 87142.1000 72871.1000 228110.4000 293213.4000 497018.8000 327429.4000 60658.9000 95670.5000 65111.6000 62346.4000 258896.2000 333004.3000 483707.3000 391364.8000 86297.9000 87868.0000 94922.6000 144387.0000 346561.4000 295278.1000 706670.3000 745575.3000 76538.8000 106874.7000 169821.0000 169803.6000 342373.5000 277918.5000 495255.8000 626443.1000 111531.5000 106537.4000 78255.0000 113996.5000 248894.3000 265056.8000 518771.0000 412140.3000 93608.5000 83184.8000 128946.6000 134379.4000 466587.6000 433771.9000 955246.4000 1023082.1000 deoxycarnitine 82829.6000 80285.6000 47829.9000 62428.3000 657454.4000 901780.1000 528021.1000 604472.3000 53614.8000 37578.1000 39867.1000 27030.3000 712255.0000 744718.8000 674942.2000 1063099.4000 178229.7000 177518.8000 143747.3000 148290.4000 1183208.4000 1089228.9000 1108076.8000 825375.9000 83757.1000 51101.5000 120560.7000 53947.2000 783751.1000 611327.8000 614643.9000 548264.6000 69915.4000 44471.6000 46184.0000 65913.6000 500324.4000 639939.9000 470672.7000 460379.9000 170861.9000 225111.2000 148917.1000 148423.4000 1432901.4000 1399494.5000 920127.3000 1388623.5000 ergothioneine 317654.1000 470011.5000 294067.0000 482926.4000 1238969.0000 1940477.5000 1422237.0000 2494479.8000 385734.2000 344207.3000 594542.2000 354235.9000 2346951.8000 2445465.3000 2329263.3000 3370960.3000 676901.3000 792096.4000 1061016.4000 626698.1000 2355177.5000 1976343.5000 2954632.3000 1674168.5000 1347096.0000 1193443.5000 1583972.0000 1740832.5000 3630180.0000 2978533.3000 3184843.8000 2803657.3000 902721.5000 925140.7000 1113662.0000 1300636.6000 2579335.8000 3683066.5000 3600284.3000 3688369.0000 1740832.5000 1718525.6000 1625925.5000 2218063.8000 3886055.5000 3692396.3000 3447889.8000 5893674.5000 erythro-sphingosine-1-phosphate 52396.5000 264400.4000 390906.8000 337157.0000 272217.8000 149185.0000 342014.3000 374726.0000 199804.9000 150088.6000 197766.2000 342644.1000 246797.3000 225088.5000 165533.5000 214670.9000 448210.5000 65522.1000 135786.0000 265433.2000 215166.6000 267458.9000 219576.9000 100584.5000 116830.0000 172353.4000 380886.9000 227904.6000 288754.3000 137498.7000 186280.5000 251543.2000 107959.2000 207166.1000 213822.4000 133285.5000 214246.6000 114348.8000 181062.6000 gamma-glutamylcysteine 39723.9000 29826.7000 36150.0000 33417.7000 65083.1000 68097.9000 36951.4000 115644.7000 42732.3000 40203.4000 50741.2000 63336.2000 58778.6000 44776.8000 58563.6000 24648.4000 79502.4000 78725.5000 92222.6000 62496.5000 18696.9000 33451.1000 42467.3000 24337.0000 25703.7000 28890.6000 65731.6000 45343.7000 54759.3000 23564.0000 37431.1000 33808.8000 45869.1000 44281.4000 22681.8000 36066.1000 26034.9000 77140.5000 30278.5000 43298.4000 32628.8000 gamma-glutamylglutamate 39949.5000 25972.9000 32969.6000 32088.3000 18798.5000 28103.0000 25170.4000 26452.3000 26101.8000 32613.9000 47716.2000 30535.8000 24443.3000 38942.2000 19900.4000 31129.4000 37066.2000 23848.7000 31304.2000 28216.0000 29051.3000 39235.1000 gamma-glutamylisoleucine* 22893.9000 30455.9000 26717.3000 21089.9000 30436.0000 22722.5000 21916.3000 15073.6000 16911.4000 18012.3000 19915.7000 18972.4000 21951.7000 25382.3000 28580.4000 24090.7000 20574.0000 27197.5000 22972.7000 18573.3000 19682.1000 21554.2000 22474.5000 22672.4000 27907.6000 26257.5000 26296.3000 24914.8000 25505.8000 21880.9000 17971.9000 26794.1000 20367.2000 23613.7000 21060.2000 20188.4000 25580.2000 14816.1000 18715.7000 19776.9000 19747.4000 20934.0000 21715.4000 gamma-glutamylleucine 71123.4000 88561.2000 62558.7000 84184.4000 126166.3000 134424.0000 109813.3000 77809.3000 40974.8000 55051.9000 39979.3000 35888.4000 105146.4000 97271.9000 92107.9000 127660.2000 63810.2000 55046.6000 68947.7000 79327.6000 101342.7000 107673.1000 113135.0000 118181.7000 58691.0000 66088.6000 72027.0000 64827.4000 106041.9000 81693.4000 66021.4000 102960.6000 51047.2000 62013.8000 74224.5000 61522.3000 79610.3000 73567.7000 99202.4000 77091.3000 37683.1000 34567.9000 45183.7000 56269.5000 112591.8000 91095.5000 130389.4000 150210.9000 gamma-glutamylthreonine* 50740.2000 69740.2000 52831.9000 59308.3000 60068.3000 56694.8000 60023.6000 55184.7000 43343.7000 27801.6000 40045.3000 34670.1000 38334.2000 47403.0000 43017.5000 34623.0000 48950.9000 62762.4000 58521.5000 54212.8000 35936.8000 33142.5000 34084.3000 33042.8000 65964.2000 61983.9000 50416.4000 72621.4000 43454.2000 43603.7000 27243.7000 37450.9000 69593.7000 67632.4000 65566.7000 78265.9000 40831.4000 47351.4000 38122.5000 40451.6000 63336.1000 35548.5000 49405.8000 76658.9000 31395.8000 25020.4000 29719.3000 gamma-glutamylvaline 173335.5000 222983.2000 165526.0000 164865.2000 167167.1000 182038.7000 143865.0000 123921.9000 109645.0000 113947.0000 112666.0000 106126.5000 133736.0000 126259.2000 132096.9000 118480.9000 128011.9000 128252.3000 128252.3000 177116.9000 74798.0000 72853.5000 63779.8000 100210.8000 170266.9000 179443.2000 199877.6000 190178.7000 129905.4000 94442.0000 79199.1000 113638.8000 168289.2000 184966.5000 193301.2000 192934.8000 122313.7000 137861.7000 112724.0000 107146.3000 107471.9000 98110.7000 131370.0000 138970.2000 62801.1000 48591.8000 45238.6000 59342.7000 GDP-glucose 468070.6000 564125.4000 519088.2000 193445.0000 618436.4000 845182.1000 663473.8000 892813.1000 GDP-mannose 182162.2000 34436.4000 122259.0000 146638.1000 135409.8000 268005.3000 170933.9000 196921.5000 glutamate 353981.7000 390918.7000 351435.8000 391966.1000 841292.6000 1089931.9000 818579.4000 1019605.1000 365722.4000 350232.4000 386752.0000 362313.1000 994981.4000 958046.6000 837117.4000 895214.5000 533483.1000 531989.2000 658892.0000 389282.6000 796324.8000 895379.4000 833000.6000 915944.9000 525355.0000 510987.0000 649196.0000 663985.8000 768548.6000 658892.0000 586880.8000 685206.1000 496993.2000 586425.3000 474515.2000 490001.9000 775314.9000 814920.3000 717034.7000 565969.6000 624314.1000 677348.9000 446155.9000 654700.6000 1083711.1000 642714.2000 808610.2000 960403.0000 glutamate_ gamma-methyl ester 17481.0000 36561.7000 65314.4000 52792.5000 54276.2000 45870.7000 12619.2000 45452.3000 37884.7000 43551.2000 103822.6000 78326.8000 51439.8000 98692.7000 31877.1000 17914.1000 31788.3000 28458.2000 72683.3000 66126.6000 66408.3000 50324.5000 17600.7000 24299.5000 26319.9000 31253.8000 27217.8000 33922.0000 24126.7000 29637.2000 54909.7000 52011.7000 50733.5000 58548.5000 62872.9000 34183.2000 39595.4000 39381.8000 13048.0000 19493.9000 42659.2000 35196.3000 48084.1000 48318.8000 76008.4000 72269.0000 glutamine 2460884.3000 2273949.5000 1987151.0000 2699263.5000 2256759.0000 1808043.1000 1303955.9000 3456034.5000 1644354.3000 1352832.1000 2255100.0000 2062029.0000 1703776.0000 2045406.5000 1866508.5000 2864160.3000 3248527.0000 3439264.3000 4361765.5000 1842110.8000 1182297.8000 851981.4000 707811.4000 990475.8000 2044360.1000 1802936.9000 3919651.3000 3417671.0000 1257788.0000 1111382.5000 1827491.4000 944081.4000 1987151.0000 2881903.0000 2198885.5000 2347388.3000 3040632.8000 1767484.8000 2238885.0000 1585289.0000 3726286.8000 4664124.0000 1956906.8000 3481047.8000 2645357.8000 994870.9000 1371418.3000 1084655.6000 glutathione_ oxidized (GSSG) 6761229.0000 7837420.5000 6171634.5000 7225754.5000 7755445.5000 7760827.5000 8460286.0000 8171263.0000 6208243.0000 6570080.0000 6964698.0000 5298143.0000 9253871.0000 7790190.0000 7703383.5000 6695723.0000 6501278.5000 6568686.5000 6435269.0000 5876125.0000 8783385.0000 8849810.0000 8454293.0000 7037817.0000 7873061.0000 6507758.5000 7499208.0000 7527980.0000 7217295.5000 6695723.0000 5568329.5000 6435474.0000 6747310.0000 6416357.5000 5776855.0000 7187941.0000 6040966.5000 6577026.0000 6159011.5000 5698217.5000 4689288.5000 4750059.0000 5403397.5000 5939230.0000 5756884.5000 5788372.0000 5411440.5000 8083171.5000 glutathione_ reduced (GSH) 11468570.0000 13219682.0000 11490507.0000 11339635.0000 15439236.0000 21318060.0000 17183180.0000 14988723.0000 14454580.0000 11478476.0000 13051431.0000 12989678.0000 25261824.0000 23367296.0000 25532736.0000 21122538.0000 12287251.0000 12794788.0000 11295983.0000 11332159.0000 21894992.0000 22863896.0000 25470416.0000 21883968.0000 12176011.0000 14872724.0000 13413312.0000 14725847.0000 15545143.0000 14560674.0000 11292368.0000 16424899.0000 14057046.0000 15844637.0000 14976475.0000 14454580.0000 12937786.0000 13604515.0000 13879525.0000 14457875.0000 12387188.0000 7604296.5000 12495015.0000 12468691.0000 23979950.0000 15721270.0000 22207508.0000 20463874.0000 glycerophosphorylcholine (GPC) 930349.3000 1080288.0000 1179394.9000 1097813.3000 168081.8000 67672.9000 130705.6000 251905.1000 1406437.5000 1036562.3000 1402923.5000 1311847.4000 139380.2000 110509.1000 208585.8000 722567.3000 782920.2000 711990.4000 895967.8000 582954.3000 35552.3000 46028.8000 52394.7000 69890.8000 1359001.3000 1234014.5000 1848076.9000 2195187.3000 129568.5000 133279.5000 193476.4000 186048.0000 1660750.8000 1445051.0000 1691731.8000 1735125.8000 492170.3000 232432.2000 283066.4000 323104.8000 841193.6000 889267.9000 899752.9000 1028296.8000 32901.8000 23721.3000 guanosine 5^- monophosphate (5^-GMP) 281462.4000 206004.3000 144208.2000 356138.3000 187570.7000 124510.6000 159981.9000 411159.3000 79950.9000 42397.8000 69718.3000 82279.1000 36540.7000 57538.4000 61638.7000 137203.6000 63442.8000 36472.0000 74976.9000 65338.0000 60299.5000 67528.6000 19576.2000 34342.0000 27405.4000 40114.9000 49978.7000 52577.7000 65246.9000 95934.2000 34465.4000 67310.9000 44767.2000 55070.7000 46005.7000 56300.3000 60499.2000 50066.5000 59452.6000 heme* 1684642.5000 2573404.5000 1356462.8000 2333670.5000 1912354.6000 2469932.3000 2177987.8000 1585566.9000 932222.0000 3282782.3000 2185277.8000 3857770.8000 1928801.0000 1844813.8000 1956080.5000 1187413.3000 2688263.0000 2663727.0000 2217260.3000 6059580.0000 3697776.0000 1022050.3000 3259024.8000 5517144.5000 3020719.8000 4551740.5000 3277433.0000 3627605.8000 5413384.5000 3314634.5000 3401834.3000 3333525.0000 3437517.3000 1917755.1000 2314613.5000 834829.9000 1924575.0000 1697893.3000 1881854.8000 1794245.8000 2839593.3000 2806067.5000 2691720.8000 2879856.8000 2257840.3000 6836358.0000 4152006.3000 2703514.0000 hexanoylcarnitine 46451.2000 72405.9000 72376.1000 57733.0000 97318.0000 78393.4000 88703.1000 77664.9000 157821.1000 181595.1000 358450.5000 206451.0000 49805.1000 49162.4000 50768.2000 73134.3000 18647.4000 48689.9000 58207.4000 58865.0000 134197.1000 135672.5000 145818.4000 344175.4000 homostachydrine* 23663.3000 28865.8000 22161.7000 30646.3000 28138.7000 19555.7000 30833.4000 29959.1000 40202.5000 28960.2000 27635.1000 63422.5000 70118.4000 70250.3000 327048.0000 25577.3000 18154.7000 15329.8000 40030.8000 37036.9000 34290.5000 29539.8000 18606.1000 32907.8000 26434.0000 23619.0000 17905.6000 21379.3000 23170.4000 18711.7000 25090.0000 28456.6000 15875.6000 27388.2000 39179.9000 40217.9000 40122.9000 55805.8000 hydroxyisovaleroyl carnitine 42406.6000 64119.5000 51184.3000 47201.3000 62836.5000 62845.5000 76704.8000 24359.5000 16592.9000 18471.3000 19910.0000 106259.9000 80102.0000 78671.6000 57929.8000 18015.6000 46542.1000 68144.8000 66423.8000 56927.8000 44120.0000 56082.3000 45511.3000 46118.0000 27285.7000 20349.3000 15395.3000 15165.0000 104724.2000 101887.8000 87202.9000 128373.7000 inosine 5^-monophosphate (IMP) 86601.4000 497053.8000 184667.3000 112343.0000 461081.9000 159739.1000 188899.9000 722933.6000 265938.8000 242129.3000 250343.4000 157027.5000 180591.4000 256339.8000 246610.8000 213442.4000 340290.9000 328424.7000 409810.0000 233052.7000 141820.9000 133956.9000 173015.0000 63704.6000 93072.5000 175467.2000 137775.5000 153578.5000 87417.7000 95401.9000 109109.9000 91895.9000 370358.5000 350239.0000 259451.9000 352961.6000 167043.1000 133917.4000 119547.5000 157592.8000 251895.1000 147519.6000 243518.9000 180591.4000 472328.1000 69727.9000 89360.1000 119010.4000 isoleucine 127475.6000 142288.5000 84298.0000 114205.2000 432172.6000 621381.9000 530538.4000 518872.6000 117479.9000 95544.4000 149911.9000 76668.8000 538732.1000 530926.2000 454987.2000 345481.7000 92873.5000 95052.2000 97669.8000 625562.7000 798538.4000 736216.2000 521232.2000 113342.2000 82278.0000 89055.7000 95618.9000 310657.6000 209923.7000 217977.4000 287898.3000 81726.4000 65695.0000 59579.2000 81763.4000 167751.3000 280816.0000 217292.4000 188837.5000 85658.1000 94029.6000 96935.1000 101722.2000 795034.4000 385145.8000 444277.7000 942104.9000 isovalerylcarnitine 23104.3000 20157.0000 22627.5000 18312.5000 30020.5000 22391.8000 28872.1000 31717.4000 23697.5000 25804.8000 22984.9000 19440.5000 19359.3000 24471.9000 22856.1000 24838.9000 laurylcarnitine 38462.4000 101081.3000 90199.3000 115721.5000 98586.8000 139357.0000 130717.7000 28582.7000 43583.7000 148122.2000 76678.7000 75299.7000 180693.0000 159375.7000 207343.5000 87733.5000 66501.9000 197916.1000 132263.1000 181154.4000 161769.3000 53589.1000 99970.4000 139003.5000 151590.6000 210297.6000 105346.6000 166760.7000 133808.5000 143290.9000 77768.8000 94003.3000 154452.6000 150959.3000 150140.6000 125506.9000 63527.6000 96964.4000 82068.6000 243197.3000 235862.5000 303852.8000 253768.7000 leucine 530068.8000 571143.1000 411821.3000 488665.3000 891606.2000 1072551.8000 1019780.9000 1036815.9000 505303.0000 423240.7000 561008.5000 367118.5000 989253.5000 1066900.6000 1006762.6000 830895.4000 357189.3000 430162.3000 414177.8000 368928.9000 1053147.5000 1273671.9000 1349770.1000 947747.3000 442469.6000 337878.4000 395213.4000 379150.5000 598389.5000 515305.0000 530068.8000 587015.4000 337039.6000 329131.8000 317931.0000 377445.5000 410682.0000 598786.3000 542778.0000 508523.1000 334413.3000 341931.3000 379790.3000 438205.8000 1328213.1000 754868.7000 830128.8000 1575740.4000 lysine 391078.7000 394699.8000 364222.9000 450942.1000 974645.4000 749439.6000 757695.3000 828839.1000 255562.1000 203426.2000 374935.2000 187113.8000 943659.8000 946789.8000 746846.4000 904033.3000 428496.8000 546865.4000 496099.5000 438196.6000 1033991.0000 1158384.3000 1136271.8000 1174757.5000 322934.6000 263708.9000 411114.5000 408468.9000 643347.7000 496099.5000 232271.9000 535201.4000 278734.6000 451452.3000 394490.4000 336461.3000 713505.6000 800868.6000 641967.2000 522722.1000 333928.5000 315659.0000 244678.8000 463343.9000 651965.8000 590491.1000 880963.2000 1064255.8000 malonylcarnitine 20447.2000 18952.9000 21264.8000 75385.2000 66631.3000 56843.5000 56148.3000 23773.6000 19497.7000 20042.5000 91936.4000 87479.7000 76493.2000 46867.6000 29744.0000 33725.5000 33916.7000 29543.7000 110312.1000 101726.8000 113047.4000 68489.7000 19607.9000 50723.1000 43102.3000 33575.3000 43102.3000 33372.4000 50253.0000 31771.5000 45034.6000 20947.1000 18725.6000 17321.8000 118820.0000 57134.9000 92276.5000 110174.6000 N-6-trimethyllysine 3469219.3000 3156303.3000 2985025.3000 3137321.3000 4394327.5000 4241838.5000 3870420.3000 4411444.5000 2561021.3000 2189187.5000 2676183.3000 2403629.3000 4041235.8000 3965651.0000 3909442.8000 3944217.5000 3454610.0000 3526131.5000 3558961.0000 3451724.5000 3994416.3000 3855132.3000 3631357.5000 3664285.8000 2410085.5000 2336438.3000 2259780.5000 2782882.8000 3675502.0000 3223366.8000 3388491.5000 3520037.3000 2310798.3000 2194950.0000 2135424.3000 2136320.3000 3780585.8000 3388491.5000 3470556.0000 3375442.8000 2323140.8000 2279803.3000 2576238.0000 2695346.8000 3936504.0000 3181502.8000 3817602.8000 4236679.0000 N-acetylneuraminate 46653.3000 100656.6000 55901.4000 93563.7000 166384.9000 257150.3000 185157.7000 212939.2000 78260.3000 44367.4000 36619.2000 151881.1000 213724.6000 108311.2000 118573.4000 110847.8000 92994.1000 92601.6000 50826.0000 297679.3000 255994.5000 167422.0000 218605.5000 24875.4000 25337.8000 64445.8000 91943.7000 100937.5000 130523.2000 161233.0000 173612.7000 28742.2000 23030.6000 24753.9000 26193.4000 105719.5000 156781.9000 88955.5000 115091.3000 67685.1000 63054.9000 46281.0000 35324.6000 378041.8000 251441.5000 267845.1000 386548.5000 N-acetylornithine 60960.9000 54458.0000 46894.0000 61258.2000 62083.4000 43474.1000 51420.1000 60902.7000 81163.6000 83957.3000 62083.4000 35659.9000 66608.7000 96425.8000 33803.8000 68555.8000 52865.7000 74946.3000 81728.9000 67314.4000 65429.0000 48139.7000 67865.4000 68716.7000 87915.0000 76349.7000 67835.8000 124839.8000 60333.8000 59801.4000 31877.9000 64282.5000 67925.3000 57719.2000 60720.9000 72937.0000 46409.5000 54236.9000 55933.5000 38350.9000 72558.8000 51189.6000 58873.1000 80422.1000 89795.6000 50585.9000 53853.4000 70343.6000 N-carbamoylaspartate 24720.0000 22874.6000 34468.0000 44215.9000 19385.5000 99565.8000 52742.6000 40550.9000 17374.1000 nicotinamide 381283.0000 265134.8000 284719.0000 428652.0000 5529694.0000 6537553.5000 3752747.3000 6708015.5000 390042.5000 187219.2000 189832.8000 173276.4000 4886293.5000 3271910.5000 3414250.3000 3404033.0000 400536.6000 647035.9000 477727.8000 698048.7000 6047878.5000 9456751.0000 5264816.5000 3919381.0000 260677.6000 152194.5000 185645.7000 124895.3000 3222076.5000 1530520.1000 2030931.9000 1625408.8000 167556.3000 174228.4000 68509.8000 162662.4000 1361100.0000 2061533.3000 1361100.0000 1541441.5000 792861.3000 494500.8000 479030.5000 610356.0000 6153710.0000 4045715.5000 3390691.8000 4264913.5000 nicotinamide adenine dinucleotide (NAD+) 2740895.3000 3178737.0000 2143813.5000 2872253.8000 417142.2000 1378652.5000 539041.9000 183238.0000 2514262.5000 2454824.3000 2504272.3000 2053205.5000 1056286.1000 1375406.6000 1074354.4000 901741.4000 1918509.4000 2217240.8000 1897093.5000 1655193.9000 876559.4000 465243.8000 939542.8000 281096.3000 2036648.8000 1771489.1000 2651255.3000 2288129.8000 499247.2000 851870.7000 1052019.5000 697198.9000 1874439.3000 1664776.6000 1655397.0000 1788813.3000 944345.3000 542076.5000 847423.6000 723564.6000 1252396.8000 1517791.0000 1384334.9000 1569686.8000 873347.6000 441867.7000 1075358.5000 1369724.1000 nicotinamide adenine dinucleotide phosphate (NADP+) 32840.3000 34398.4000 29769.7000 38494.7000 33785.4000 21090.9000 20466.3000 17355.0000 20984.6000 40302.7000 31022.0000 43753.8000 25431.7000 39545.5000 44287.6000 44313.1000 30944.6000 35357.9000 27774.2000 20794.2000 16510.8000 45369.3000 23482.6000 49678.8000 70989.3000 60509.6000 47381.8000 33785.4000 37631.9000 38074.5000 41975.9000 28389.8000 33388.3000 34563.3000 22547.0000 31410.8000 30251.2000 32666.8000 34595.7000 35629.1000 41554.5000 29280.5000 nicotinamide ribonucleotide (NMN) 276736.4000 277139.3000 183251.5000 267161.2000 128406.4000 121259.7000 83405.5000 112135.8000 284561.8000 208010.7000 258369.9000 251539.9000 96313.9000 94244.5000 109885.1000 81107.9000 165580.6000 197857.5000 186368.0000 146452.7000 91506.7000 72578.4000 78437.1000 69746.3000 124305.0000 114045.5000 178600.7000 176167.7000 45545.2000 51748.3000 67883.4000 57896.6000 133826.8000 122248.6000 114194.5000 147465.3000 83474.6000 61700.2000 57289.5000 66911.8000 92501.4000 105724.7000 107278.4000 127602.8000 68273.2000 43643.7000 62332.7000 101873.2000 nicotinate ribonucleoside* 27376.5000 55400.8000 23251.8000 26589.6000 21668.5000 42660.7000 17121.1000 27920.6000 24920.7000 15421.2000 22655.4000 28421.8000 17336.0000 28690.6000 nicotinic acid mononucleotide (NaMN) 121323.3000 207618.7000 131469.7000 159354.5000 44224.1000 63445.5000 43447.6000 78619.3000 75104.5000 87490.4000 85423.8000 77754.4000 44224.1000 32775.4000 33017.2000 38560.3000 99930.3000 132441.1000 110825.3000 132225.7000 14467.4000 68796.2000 60607.3000 79884.4000 50489.5000 41902.0000 43000.1000 40784.8000 27980.4000 53606.0000 47724.2000 56700.1000 25411.8000 37888.5000 41969.2000 35185.3000 39852.3000 50489.5000 47028.5000 58050.9000 25124.8000 30316.2000 norophthalmate* 104053.2000 140167.3000 103467.4000 99060.6000 83609.8000 71397.0000 79447.9000 83638.2000 52336.6000 50419.1000 68228.1000 43975.0000 177942.4000 154423.4000 254166.6000 179901.4000 178468.0000 196371.7000 188192.6000 225191.6000 15828.5000 12987.9000 19048.5000 112758.9000 101264.0000 124965.5000 140821.0000 octanoylcarnitine 125343.9000 147267.3000 89016.8000 97615.5000 2021608.5000 3523708.0000 1739371.1000 1399205.0000 194642.6000 137293.4000 98200.0000 100038.6000 3953949.5000 4421201.5000 2590672.8000 2093434.6000 244079.6000 332636.1000 222750.2000 253335.3000 3237174.3000 4270382.0000 3939801.0000 3165808.8000 249833.7000 188570.7000 273707.9000 259855.7000 3356472.5000 2348910.0000 1595998.1000 2149629.8000 230377.8000 273785.0000 180487.8000 252557.3000 2010105.6000 3144298.3000 1877646.1000 1937445.6000 347881.0000 313545.4000 284324.8000 347881.0000 4795495.0000 4296114.0000 3264457.8000 4832961.0000 oleoylcarnitine 127435.2000 377168.5000 237076.2000 298191.1000 472055.4000 601282.3000 924166.4000 126331.2000 396340.0000 233920.9000 289667.9000 778603.8000 515757.0000 952562.0000 228764.7000 211386.2000 215811.0000 731351.9000 510742.5000 737763.9000 837255.4000 165275.4000 447126.2000 430338.4000 404235.6000 844524.3000 521201.5000 651610.6000 925083.4000 450126.7000 326205.0000 257736.7000 41141.2000 516021.1000 578734.4000 533025.3000 540930.0000 215569.9000 179553.9000 376373.3000 285467.0000 644012.3000 1173597.5000 1497021.5000 1050796.6000 ophthalmate 942881.5000 714214.5000 817554.5000 675568.7000 99551.5000 64647.9000 65437.8000 60911.9000 623708.7000 404902.6000 502600.8000 466396.9000 50236.3000 27015.4000 51241.0000 78292.6000 468646.0000 504384.7000 469934.2000 463018.1000 740981.1000 723334.8000 692071.5000 707972.0000 56474.0000 69447.7000 56554.8000 53022.6000 926633.8000 880796.9000 1008586.4000 1058095.4000 138039.9000 95317.5000 111904.7000 130825.2000 543785.9000 466396.9000 638165.2000 645589.3000 palmitoylcarnitine 279632.8000 1008894.7000 567147.7000 684281.6000 982776.4000 1177301.8000 1316954.0000 43491.4000 107857.6000 1090447.3000 437191.6000 550951.3000 1239600.3000 985572.4000 1455207.3000 530329.5000 526374.4000 552540.0000 1246045.6000 1113348.8000 42496.6000 1481945.3000 1462648.8000 494787.6000 953722.6000 1041494.3000 850039.4000 1869529.9000 1322401.4000 1273140.9000 1359561.8000 994273.1000 518669.0000 623087.9000 85748.0000 1078993.4000 1078332.0000 1131979.1000 968338.1000 470098.1000 622026.9000 683592.6000 535569.1000 1250177.6000 2380738.5000 2163657.8000 1753174.8000 pantothenate 126424.8000 194095.4000 121096.2000 153777.8000 200361.5000 323193.7000 215632.8000 249758.0000 56369.2000 45350.8000 44634.8000 37002.3000 142051.5000 147148.8000 112468.3000 181786.4000 158721.0000 162904.1000 137370.2000 138823.9000 346357.2000 322100.3000 272523.3000 218666.8000 121838.7000 138200.7000 162904.1000 113321.6000 242262.1000 227246.1000 194672.8000 186550.3000 93158.5000 106667.5000 92101.4000 100510.7000 192679.8000 219890.7000 201222.4000 169538.5000 117182.8000 125525.4000 108199.4000 96800.7000 442571.5000 337559.8000 357014.8000 418071.4000 phenylalanine 208200.2000 233390.1000 121035.2000 184178.1000 477315.7000 627847.2000 551909.3000 543933.2000 216220.1000 172384.1000 194629.8000 107191.5000 655173.4000 684378.3000 571616.6000 443573.6000 149020.3000 215545.2000 106666.4000 190331.5000 708603.6000 812038.3000 732661.0000 561678.8000 145880.7000 97447.7000 154589.7000 124719.4000 341249.5000 225660.7000 262208.6000 341169.7000 128467.8000 85769.5000 93765.8000 117308.8000 205541.3000 367639.7000 253018.9000 225660.7000 144774.7000 155427.5000 173645.9000 154931.6000 924453.1000 494628.1000 494790.2000 973912.5000 pipecolate 54374.7000 57867.5000 46628.9000 50114.7000 53939.8000 59962.2000 61897.9000 51482.2000 70491.7000 85969.3000 113723.0000 57271.4000 98511.8000 130057.4000 96409.1000 165958.1000 62535.5000 61922.6000 57012.8000 66939.8000 100718.2000 68804.1000 82520.2000 80629.1000 46299.5000 43908.4000 34738.6000 57251.9000 50130.6000 39602.8000 52611.4000 74047.1000 68873.3000 67747.0000 87358.2000 82791.9000 82953.1000 74822.5000 82911.4000 33502.7000 19364.6000 61947.3000 47888.8000 50576.2000 23021.9000 47392.6000 55745.4000 proline 424069.5000 420450.8000 324196.7000 413667.9000 622348.6000 754989.3000 615339.8000 708040.7000 593089.7000 547520.1000 525559.1000 378527.6000 1335968.9000 1292472.8000 828257.1000 1414750.8000 401139.5000 576973.1000 529981.1000 560400.5000 872367.5000 1278034.6000 1308256.3000 955667.6000 636345.7000 529993.9000 559324.9000 591865.1000 615339.8000 604467.7000 432548.1000 596553.7000 443895.7000 519465.4000 431880.8000 659152.0000 541373.1000 920631.3000 713521.0000 705211.8000 541275.3000 703321.4000 514936.3000 773439.3000 1115415.3000 918100.6000 782445.7000 1580584.5000 propionylcarnitine 21349.1000 49887.8000 20581.6000 58127.9000 794937.7000 1178290.9000 598386.8000 477415.2000 43808.2000 48938.5000 74011.4000 1045020.3000 760769.5000 761760.4000 529992.9000 46062.7000 123980.2000 41532.7000 54813.9000 1180119.1000 1402544.6000 1117737.5000 726920.6000 42099.3000 121589.9000 29500.1000 783296.1000 618316.3000 719653.2000 632540.7000 26551.5000 26477.0000 25041.8000 40486.8000 504907.1000 702490.1000 465386.3000 479019.9000 66645.2000 87532.7000 53341.3000 69663.6000 1489156.8000 1622313.4000 1091779.9000 1455895.3000 serotonin (5HT) 15156.7000 65303.3000 52581.1000 73261.9000 112860.5000 23518.5000 24858.1000 18447.2000 16163.0000 63992.4000 81573.8000 110587.1000 118887.6000 16502.3000 19889.4000 55491.3000 23904.5000 19365.9000 53757.1000 12401.3000 18596.0000 13820.5000 20180.2000 53363.2000 101852.4000 52972.1000 66452.4000 S-methylglutathione 26343.6000 28007.0000 30525.2000 38508.4000 75962.1000 85986.4000 78942.2000 54070.1000 33335.8000 25217.4000 53349.1000 46523.0000 131728.9000 94142.1000 120193.5000 71273.6000 54070.1000 38030.8000 43137.2000 41907.5000 91912.0000 76827.7000 108065.3000 99028.1000 43613.7000 44425.9000 52995.8000 52580.9000 83141.9000 68102.9000 56065.1000 75149.2000 39193.3000 53932.2000 48769.4000 42040.8000 63380.3000 61680.2000 61782.2000 62883.9000 39463.8000 32273.1000 52686.3000 56251.6000 92411.6000 62132.3000 96629.0000 90768.3000 spermidine 139080.4000 153349.5000 80656.3000 91289.5000 2765417.3000 3702348.0000 2041826.5000 1457305.0000 183459.4000 149486.5000 100099.0000 64260.7000 3309051.5000 3071973.5000 2093424.9000 3814408.8000 299033.3000 409619.0000 216083.3000 305888.4000 4846793.5000 5680490.5000 4950333.0000 3106788.3000 321101.0000 214659.8000 303750.3000 208749.8000 3813719.8000 3383509.3000 2442043.3000 2895277.8000 196352.6000 262480.1000 138383.3000 188481.1000 2229778.3000 2946303.0000 1811605.1000 1842934.3000 525916.5000 521757.4000 341115.9000 355127.2000 5948272.5000 6485932.5000 3295000.0000 4176810.3000 sphinganine 275983.7000 626438.1000 697584.3000 574375.7000 692972.9000 536241.9000 899427.6000 19735.8000 115960.4000 444471.0000 239668.6000 406638.1000 502926.6000 412807.2000 577121.4000 300692.2000 430694.5000 343107.5000 854114.5000 314870.3000 367421.0000 446553.3000 247596.7000 435062.5000 356217.1000 503453.9000 441716.9000 270609.3000 288235.3000 419380.9000 485037.0000 293466.8000 370553.8000 27422.8000 238131.4000 361256.5000 361324.8000 327270.1000 274179.8000 223853.3000 353135.6000 285327.0000 308520.2000 376718.3000 465070.4000 350883.9000 sphingosine 146435.0000 343128.9000 363024.5000 342874.1000 637981.7000 565782.0000 709801.9000 35677.6000 62394.8000 363054.6000 139772.6000 234561.8000 488894.8000 425778.7000 420498.7000 239834.3000 279395.5000 285642.0000 577316.6000 320742.7000 28899.6000 350534.3000 455171.9000 138968.3000 239884.7000 230810.0000 297270.9000 363288.7000 213590.6000 255773.9000 346817.2000 302461.8000 204955.8000 211390.8000 16454.5000 208046.1000 298520.8000 249714.8000 216387.1000 180904.7000 245557.8000 299770.8000 176819.1000 464345.9000 513764.9000 626569.7000 355460.0000 stachydrine 61021.6000 64834.8000 44329.3000 62704.8000 89413.4000 99136.7000 91878.3000 82840.4000 57844.9000 61518.3000 55002.9000 46681.2000 103470.9000 136663.4000 95794.7000 779032.8000 36819.6000 46127.3000 57694.2000 45929.4000 67217.9000 82782.4000 120992.9000 79426.8000 38398.8000 39676.6000 49665.9000 43891.9000 47642.0000 49926.4000 29490.5000 40302.3000 38427.8000 41643.8000 34020.3000 49926.4000 40948.4000 61770.7000 44939.6000 44217.0000 36981.7000 36244.6000 36485.9000 49335.6000 98908.2000 47523.3000 61114.9000 105936.8000 stearoylcarnitine 371696.1000 154843.9000 199144.8000 284097.1000 396454.4000 301872.9000 47672.8000 253852.7000 84529.4000 133152.3000 294533.2000 286636.9000 261276.2000 183025.2000 182765.2000 181481.8000 509117.2000 429001.1000 60424.0000 344574.5000 449377.2000 187000.5000 368347.1000 272811.3000 228994.0000 642477.4000 422378.1000 392450.0000 341112.1000 367709.3000 159207.5000 188802.7000 52373.4000 267244.4000 292654.6000 334629.3000 342711.7000 194522.8000 267782.4000 289645.7000 228024.8000 503778.9000 800976.9000 827688.2000 576700.1000 succinylcarnitine 163413.5000 167123.1000 159080.9000 177040.7000 219689.1000 277387.7000 275257.4000 304262.2000 136629.2000 111828.7000 134515.2000 113652.2000 228642.6000 220305.0000 259064.7000 222996.2000 179513.2000 168189.3000 185235.7000 176489.5000 250414.6000 286999.9000 305505.5000 219689.1000 194789.3000 183826.7000 196161.5000 202061.2000 368700.1000 293651.9000 233630.5000 305457.4000 167934.7000 164517.2000 143697.0000 176598.4000 288897.0000 318777.0000 279109.6000 300465.5000 171204.9000 140870.4000 217803.8000 210951.4000 350239.5000 248110.0000 361215.1000 441397.0000 taurine 46137.6000 65083.6000 43143.4000 43208.8000 156317.3000 150960.7000 142621.6000 156579.2000 55273.8000 40891.4000 56870.0000 49199.1000 114363.5000 122373.4000 113785.2000 103306.3000 50880.0000 52448.6000 52517.0000 49172.5000 97366.7000 111950.4000 77962.4000 141940.8000 50561.7000 57144.6000 65380.3000 67178.4000 118306.0000 82902.2000 82322.6000 104933.7000 48125.5000 72973.7000 53968.4000 54441.7000 76365.2000 110761.0000 92414.1000 76365.2000 69242.4000 57420.1000 57912.1000 63847.7000 131256.8000 104100.9000 122547.0000 124875.0000 threonine 98336.3000 101654.2000 83480.2000 94251.3000 146021.0000 197430.4000 155638.5000 234536.6000 176120.1000 132033.5000 165841.6000 146761.5000 302515.3000 322732.9000 212042.3000 494582.0000 181432.8000 196903.0000 237597.6000 129592.7000 140558.0000 204025.3000 172517.9000 184721.6000 126636.0000 147009.4000 157845.9000 181432.8000 164700.8000 154158.1000 120946.9000 164998.7000 121103.7000 243011.9000 178311.0000 216584.1000 213548.5000 262957.7000 262471.7000 229502.5000 205091.5000 296187.1000 178529.7000 334350.9000 266642.3000 160383.8000 217404.1000 294776.9000 trans-4-hydroxyproline 40129.3000 54372.1000 51086.0000 39545.3000 44790.7000 71166.4000 49302.1000 69422.5000 73259.7000 59622.2000 71500.7000 60039.6000 91721.9000 84093.3000 62749.7000 47044.8000 65369.5000 45180.9000 77303.8000 42674.8000 50028.5000 43183.6000 43390.1000 49708.1000 46463.3000 65352.2000 53412.2000 62406.0000 40706.3000 55412.5000 36238.4000 44076.6000 48192.4000 57943.1000 51623.5000 69431.3000 43976.6000 61386.8000 55412.5000 57068.8000 91566.2000 97761.6000 64664.1000 77225.7000 68659.8000 46927.1000 52296.1000 56952.7000 trigonelline (N^-methylnicotinate) 93747.8000 118439.2000 110822.3000 105222.9000 101811.7000 107224.0000 128662.2000 133171.6000 91879.5000 82486.2000 60857.6000 39538.6000 83419.9000 74661.6000 61845.0000 131654.7000 94569.2000 111016.2000 110788.7000 82964.4000 89637.9000 72235.0000 120889.3000 63275.9000 112338.1000 114851.9000 90770.4000 82693.7000 68857.9000 78680.4000 47755.4000 73098.7000 90464.4000 95421.4000 90464.4000 99560.1000 71835.8000 97262.2000 84502.9000 66348.7000 79457.3000 49186.6000 88124.6000 94332.6000 91488.6000 37616.5000 53216.0000 90849.6000 tryptophan 48420.1000 56203.3000 49649.9000 61311.0000 101014.1000 215529.3000 151880.4000 152527.5000 42533.9000 38654.5000 64829.4000 27327.2000 148014.6000 153106.9000 154431.5000 111433.5000 31580.2000 44427.5000 29586.0000 46417.9000 168813.2000 194103.8000 213532.3000 157053.3000 37724.7000 52097.5000 58027.9000 44256.5000 114162.9000 64829.4000 84334.0000 117309.2000 37236.2000 25152.5000 19573.7000 35492.1000 78015.7000 93230.4000 68107.0000 63743.6000 26834.7000 51957.5000 35961.1000 47959.1000 190149.2000 101339.2000 120737.6000 262198.3000 tyrosine 31969.4000 58653.3000 30547.6000 114802.8000 158949.9000 203185.6000 213798.5000 51623.8000 26538.9000 71944.1000 33002.9000 174233.4000 153255.0000 192792.2000 178193.7000 35096.0000 25159.1000 44868.9000 195215.5000 256749.2000 280415.3000 233946.5000 40093.8000 28019.1000 37629.6000 76998.5000 56445.4000 77040.4000 115263.9000 19374.5000 42349.4000 51659.0000 105967.5000 93632.1000 69971.3000 24967.0000 77082.2000 22336.4000 40411.9000 244857.8000 136957.6000 187457.5000 362922.0000 valine 133111.3000 132008.4000 38276.0000 261406.1000 366938.5000 506601.3000 375242.0000 317182.8000 118228.9000 72480.6000 89579.4000 35317.8000 480229.3000 524906.2000 311064.8000 197851.5000 69830.2000 102994.2000 43850.8000 41986.7000 533142.5000 642521.8000 503113.6000 291369.2000 90162.8000 44534.0000 59181.9000 43585.0000 204639.5000 132292.6000 194570.0000 132702.0000 63942.1000 89669.6000 200857.3000 117907.3000 89992.6000 66762.2000 61160.7000 40588.4000 66574.6000 635253.4000 253452.6000 205063.1000 558789.5000 xanthine 95021.2000 80385.7000 217372.7000 214104.2000 142808.5000 188668.4000 35521.5000 51608.6000 150739.7000 260726.5000 144889.7000 208059.0000 145576.3000 146381.3000 142593.0000 157030.4000 144842.1000 233319.2000 66258.1000 101581.9000 173940.5000 90458.4000 148542.5000 181227.8000 97697.5000 132005.3000 89155.2000 134426.7000 110433.0000 169342.0000 184892.9000 120080.0000 83869.0000 117799.6000 71653.3000 192287.8000 91835.0000 121823.8000 143717.6000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 1-linoleoylglycerophosphocholine 11988421 C04100 5574 1-oleoylglycerophosphocholine 16081932 5700 1-palmitoylglycerophosphocholine 86554 5671 1-stearoylglycerophosphocholine 497299 5844 2-aminoadipate 469 C00956 794 2-arachidonoylglycerophosphocholine* 5524 2-arachidonoylglycerophosphoethanolamine* 5525 2-docosahexaenoylglycerophosphoethanolamine* 5512 2-docosapentaenoylglycerophosphoethanolamine* 5548 2-linoleoylglycerophosphocholine* 5544 2-methylbutyroylcarnitine 6426901 2439 2-oleoylglycerophosphocholine* 5640 2-oleoylglycerophosphoethanolamine* 5625 2-palmitoylglycerophosphocholine* 5604 2-palmitoylglycerophosphoethanolamine* 5598 2-stearoylglycerophosphocholine* 10208382 5780 3-dehydrocarnitine* 6991982 C02636 1020 3-ureidopropionate 111 C02642 1062 5-methylthioadenosine (MTA) 439176 C00170 2427 5-oxoproline 7405 C01879 1446 acetylcarnitine 7045767 C02571 1203 adenosine 5'-diphosphate (ADP) 6022 C00008 1005 adenosine 5'-monophosphate (AMP) 15938965 C00020 1210 betaine 247 721 biopterin 445040 C06313 1555 butyrylcarnitine 213144 2007 carnitine 10917 702 choline 170746 674 cis-4-decenoyl carnitine 4404 citrulline 833 C00327 715 creatine 586 C00300 758 creatinine 588 C00791 730 cytidine 6175 C00475 1065 cytidine 5'-monophosphate (5'-CMP) 7058165 C00055 887 decanoylcarnitine 10245190 4700 deoxycarnitine 725 C01181 759 ergothioneine 3032311 C05570 847 erythro-sphingosine-1-phosphate 5512 gamma-glutamylcysteine 842 C00669 1274 gamma-glutamylglutamate 92865 1036 gamma-glutamylisoleucine* 2644 gamma-glutamylleucine 151023 2744 gamma-glutamylthreonine* 977 gamma-glutamylvaline 2040 GDP-glucose 644106 1325.6 GDP-mannose 18396 C00096 1007 glutamate 611 C00025 700 glutamate, gamma-methyl ester 73913 1062 glutamine C00064 684 glutathione, oxidized (GSSG) C00127 1535 glutathione, reduced (GSH) 124886 C00051 1274 glycerophosphorylcholine (GPC) 657272 C00670 694 guanosine 5'- monophosphate (5'-GMP) 761 1300 heme* 4985 hexanoylcarnitine 6426853 C01585 3174 homostachydrine* 441447 C08283 1199 hydroxyisovaleroyl carnitine 1683 inosine 5'-monophosphate (IMP) 7140378 C00130 1310 isoleucine 791 C00407 1614 isovalerylcarnitine 6426851 2533 laurylcarnitine 10427569 5066 leucine C00123 1674 lysine 5962 C00047 603 malonylcarnitine 980 N-6-trimethyllysine 159659 650 N-acetylneuraminate C00270 787 N-acetylornithine C00437 875 N-carbamoylaspartate 5460257 C00438 951 nicotinamide 936 C00153 1267 nicotinamide adenine dinucleotide (NAD+) C00003 1370 nicotinamide adenine dinucleotide phosphate (NADP+) 5885 C00005 1330 nicotinamide ribonucleotide (NMN) 14180 C00455 886 nicotinate ribonucleoside* 161233 1105 nicotinic acid mononucleotide (NaMN) 879 norophthalmate* 5489007 989 octanoylcarnitine 123701 4100 oleoylcarnitine 5202 ophthalmate 9817431 1457 palmitoylcarnitine 461 5179 pantothenate 6613 C00864 2218 phenylalanine C00079 2056 pipecolate 849 C00408 1120 proline C00148 796 propionylcarnitine 107738 C03017 1589 serotonin (5HT) 5202 C00780 1660 S-methylglutathione 3605667 C11347 1610 spermidine 1102 C00315 533 sphinganine 3126 C00836 5175 sphingosine 5353955 C00319 5197 stachydrine 115244 C10172 860 stearoylcarnitine 5300 succinylcarnitine 1401 taurine C00245 687 threonine C00188 713 trans-4-hydroxyproline C01157 705 trigonelline (N'-methylnicotinate) 5570 757 tryptophan C00078 2445 tyrosine C00082 1516 valine C00183 1040 xanthine 1188 C00385 1430 METABOLITES_END #END