#METABOLOMICS WORKBENCH eseidel_20240325_064425 DATATRACK_ID:4739 STUDY_ID:ST003635 ANALYSIS_ID:AN005968 PROJECT_ID:PR002248 VERSION 1 CREATED_ON August 25, 2024, 10:08 pm #PROJECT PR:PROJECT_TITLE Intracellular and supernatant metabolomes of ferroptotic Pfa1 cells using PR:PROJECT_TITLE HPLC-MS/MS PR:PROJECT_SUMMARY In order to investigate metabolites both secreted from and enriched in cells PR:PROJECT_SUMMARY upon ferroptotic cell death, we compared metabolomes from supernatants and PR:PROJECT_SUMMARY lysates of ferroptotic to nonferroptotic Pfa1 cells after 24 h(cells are alive), PR:PROJECT_SUMMARY 30 h (ferroptosis is present) as well as supernatants after 72 h (no cells PR:PROJECT_SUMMARY left). In Pfa1 cells, ferroptosis is induced upon treatment with tamoxifen which PR:PROJECT_SUMMARY induces knock-out of GPX4, causing massive ferroptosis. Ferroptosis, in turn, PR:PROJECT_SUMMARY was rescued using lipid ros scavenger FER-1 (Ferrostatin1). PR:INSTITUTE Cecad PR:LAST_NAME Seidel PR:FIRST_NAME Eric PR:ADDRESS Joseph-Stelzmann-Str. 26, Cologne, NRW, D-50931, Germany PR:EMAIL eric.seidel@uk-koeln.de PR:PHONE +4902118184372 #STUDY ST:STUDY_TITLE Intracellular and supernatant metabolomes of ferroptotic Pfa1 cells using ST:STUDY_TITLE HPLC-MS/MS ST:STUDY_SUMMARY In order to investigate metabolites both secreted from and enriched in cells ST:STUDY_SUMMARY upon ferroptotic cell death, we compared metabolomes from supernatants and ST:STUDY_SUMMARY lysates of ferroptotic to nonferroptotic Pfa1 cells after 24 h(cells are alive), ST:STUDY_SUMMARY 30 h (ferroptosis is present) as well as supernatants after 72 h (no cells ST:STUDY_SUMMARY left). In Pfa1 cells, ferroptosis is induced upon treatment with tamoxifen which ST:STUDY_SUMMARY induces knock-out of GPX4, causing massive ferroptosis. Ferroptosis, in turn, ST:STUDY_SUMMARY was rescued using lipid ros scavenger FER-1 (Ferrostatin1). ST:INSTITUTE CECAD Research Center ST:LAST_NAME Seidel ST:FIRST_NAME Eric ST:ADDRESS Joseph-Steltzmann-Str 26, 50931 Cologne, Germany ST:EMAIL eric.seidel@uk-koeln.de ST:PHONE +492118184372 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - ES01_001_Intracell Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_001_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_002_Intracell Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_002_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_003_Intracell Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_003_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_004_Intracell Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_004_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_005_Intracell Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_005_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_006_Intracell Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_006_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_007_Intracell Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_007_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_008_Intracell Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_008_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_009_Intracell Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_009_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_010_Intracell Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_010_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_011_Intracell Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_011_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_012_Intracell Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_012_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_013_Intracell Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_013_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_014_Intracell Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_014_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_015_Intracell Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_015_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_016_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_016_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_017_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_017_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_018_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_018_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_019_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_019_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_020_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_020_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_021_Intracell Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_021_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_022_Intracell Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_022_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_023_Intracell Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_023_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_024_Intracell Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_024_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_025_Intracell Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_025_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_026_Intracell Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_026_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_027_Intracell Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_027_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_028_Intracell Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_028_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_029_Intracell Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_029_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_030_Intracell Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_030_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_031_Intracell Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_031_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_032_Intracell Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_032_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_033_Intracell Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_033_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_034_Intracell Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_034_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_035_Intracell Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_035_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_036_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_036_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_037_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_037_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_038_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_038_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_039_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_039_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_040_Intracell Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_040_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_041_Media Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_041_media.raw SUBJECT_SAMPLE_FACTORS - ES01_042_Media Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_042_media.raw SUBJECT_SAMPLE_FACTORS - ES01_043_Media Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_043_media.raw SUBJECT_SAMPLE_FACTORS - ES01_044_Media Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_044_media.raw SUBJECT_SAMPLE_FACTORS - ES01_045_Media Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_045_media.raw SUBJECT_SAMPLE_FACTORS - ES01_046_Media Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_046_media.raw SUBJECT_SAMPLE_FACTORS - ES01_047_Media Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_047_media.raw SUBJECT_SAMPLE_FACTORS - ES01_048_Media Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_048_media.raw SUBJECT_SAMPLE_FACTORS - ES01_049_Media Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_049_media.raw SUBJECT_SAMPLE_FACTORS - ES01_050_Media Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_050_media.raw SUBJECT_SAMPLE_FACTORS - ES01_051_Media Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_051_media.raw SUBJECT_SAMPLE_FACTORS - ES01_052_Media Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_052_media.raw SUBJECT_SAMPLE_FACTORS - ES01_053_Media Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_053_media.raw SUBJECT_SAMPLE_FACTORS - ES01_054_Media Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_054_media.raw SUBJECT_SAMPLE_FACTORS - ES01_055_Media Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_055_media.raw SUBJECT_SAMPLE_FACTORS - ES01_056_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_056_media.raw SUBJECT_SAMPLE_FACTORS - ES01_057_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_057_media.raw SUBJECT_SAMPLE_FACTORS - ES01_058_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_058_media.raw SUBJECT_SAMPLE_FACTORS - ES01_059_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_059_media.raw SUBJECT_SAMPLE_FACTORS - ES01_060_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_060_media.raw SUBJECT_SAMPLE_FACTORS - ES01_061_Media Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_061_media.raw SUBJECT_SAMPLE_FACTORS - ES01_062_Media Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_062_media.raw SUBJECT_SAMPLE_FACTORS - ES01_063_Media Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_063_media.raw SUBJECT_SAMPLE_FACTORS - ES01_064_Media Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_064_media.raw SUBJECT_SAMPLE_FACTORS - ES01_065_Media Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_065_media.raw SUBJECT_SAMPLE_FACTORS - ES01_066_Media Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_066_media.raw SUBJECT_SAMPLE_FACTORS - ES01_067_Media Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_067_media.raw SUBJECT_SAMPLE_FACTORS - ES01_068_Media Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_068_media.raw SUBJECT_SAMPLE_FACTORS - ES01_069_Media Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_069_media.raw SUBJECT_SAMPLE_FACTORS - ES01_070_Media Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_070_media.raw SUBJECT_SAMPLE_FACTORS - ES01_071_Media Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_071_media.raw SUBJECT_SAMPLE_FACTORS - ES01_072_Media Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_072_media.raw SUBJECT_SAMPLE_FACTORS - ES01_073_Media Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_073_media.raw SUBJECT_SAMPLE_FACTORS - ES01_074_Media Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_074_media.raw SUBJECT_SAMPLE_FACTORS - ES01_075_Media Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_075_media.raw SUBJECT_SAMPLE_FACTORS - ES01_076_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_076_media.raw SUBJECT_SAMPLE_FACTORS - ES01_077_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_077_media.raw SUBJECT_SAMPLE_FACTORS - ES01_078_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_078_media.raw SUBJECT_SAMPLE_FACTORS - ES01_079_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_079_media.raw SUBJECT_SAMPLE_FACTORS - ES01_080_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_080_media.raw SUBJECT_SAMPLE_FACTORS - ES01_081_Media Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_081_media.raw SUBJECT_SAMPLE_FACTORS - ES01_082_Media Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_082_media.raw SUBJECT_SAMPLE_FACTORS - ES01_083_Media Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_083_media.raw SUBJECT_SAMPLE_FACTORS - ES01_084_Media Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_084_media.raw SUBJECT_SAMPLE_FACTORS - ES01_085_Media Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_085_media.raw SUBJECT_SAMPLE_FACTORS - ES01_086_Media Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_086_media.raw SUBJECT_SAMPLE_FACTORS - ES01_087_Media Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_087_media.raw SUBJECT_SAMPLE_FACTORS - ES01_088_Media Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_088_media.raw SUBJECT_SAMPLE_FACTORS - ES01_089_Media Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_089_media.raw SUBJECT_SAMPLE_FACTORS - ES01_090_Media Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_090_media.raw SUBJECT_SAMPLE_FACTORS - ES01_091_Media Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_091_media.raw SUBJECT_SAMPLE_FACTORS - ES01_092_Media Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_092_media.raw SUBJECT_SAMPLE_FACTORS - ES01_093_Media Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_093_media.raw SUBJECT_SAMPLE_FACTORS - ES01_094_Media Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_094_media.raw SUBJECT_SAMPLE_FACTORS - ES01_095_Media Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_095_media.raw SUBJECT_SAMPLE_FACTORS - ES01_096_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_096_media.raw SUBJECT_SAMPLE_FACTORS - ES01_097_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_097_media.raw SUBJECT_SAMPLE_FACTORS - ES01_098_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_098_media.raw SUBJECT_SAMPLE_FACTORS - ES01_099_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_099_media.raw SUBJECT_SAMPLE_FACTORS - ES01_100_Media Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Experiment; RAW_FILE_NAME(Sample name)=ES01_100_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA0_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA0_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA1_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA1_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA2_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA2_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA3_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA3_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA4_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA4_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA5_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA5_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA6_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA6_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA7_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA7_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA8_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA8_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA9_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA9_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA10_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA10_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolA11_Intracell Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=Yes; Supernatant=No; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolA11_Intracell.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB0_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB0_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB1_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB1_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB2_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB2_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB3_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB3_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB4_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB4_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB5_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB5_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB6_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB6_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB7_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB7_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB8_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB8_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB9_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB9_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB10_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB10_media.raw SUBJECT_SAMPLE_FACTORS - ES01_PoolB11_Media Treatment:Pooled Samples | Time point:Pooled Samples | Sample source:Pfa1 Lysate=No; Supernatant=Yes; Sample type=Quality Control; RAW_FILE_NAME(Sample name)=ES01_PoolB11_media.raw #COLLECTION CO:COLLECTION_SUMMARY For metabolomics analysis of ferroptotic supernatants, Pfa1 cells were seeded on CO:COLLECTION_SUMMARY 6 well plates in presence of DMSO, 1 µM tamoxifen, 1 µM Fer1 or 1µM Tamoxifen CO:COLLECTION_SUMMARY and 1 µM Fer1(25.000 cells per well; pentaplicates per condition), and samples CO:COLLECTION_SUMMARY were harvested at 24 h (cells + supernatant), 48 h (cells + supernatant) and 72 CO:COLLECTION_SUMMARY h supernatant only). For sample harvest, supernatants were centrifuged at full CO:COLLECTION_SUMMARY speed and 4°C for 5 min, and 50 µL of the cleared supernatants were added to CO:COLLECTION_SUMMARY 350 µL ice-cold extraction solution (50% methanol, 30% acetonitrile (both from CO:COLLECTION_SUMMARY Fisher Scientific), 20% ultrapure water, 5 µM valine-d8 (CK isotopes) on dry CO:COLLECTION_SUMMARY ice. Cells were washed twice with ice-cold PBS and subsequently incubated with CO:COLLECTION_SUMMARY 100 µL extraction solution for 20 min in a dry ice/methanol bath, followed by CO:COLLECTION_SUMMARY scraping. Supernatants and cell samples were then stirred vigorously in a CO:COLLECTION_SUMMARY thermomixer at full speed and 4 °C followed by 20 min centrifugation at 4°C CO:COLLECTION_SUMMARY and full speed. CO:SAMPLE_TYPE Mouse Embryonic Fibroblasts #TREATMENT TR:TREATMENT_SUMMARY For metabolomics analysis of ferroptotic supernatants, Pfa1 cells were seeded on TR:TREATMENT_SUMMARY 6 well plates in presence of DMSO, 1 µM tamoxifen, 1 µM Fer1 or 1µM Tamoxifen TR:TREATMENT_SUMMARY and 1 µM Fer1(25.000 cells per well; pentaplicates per condition), and samples TR:TREATMENT_SUMMARY were harvested at 24 h (cells + supernatant), 48 h (cells + supernatant) and 72 TR:TREATMENT_SUMMARY h supernatant only). For sample harvest, supernatants were centrifuged at full TR:TREATMENT_SUMMARY speed and 4°C for 5 min, and 50 µL of the cleared supernatants were added to TR:TREATMENT_SUMMARY 350 µL ice-cold extraction solution (50% methanol, 30% acetonitrile (both from TR:TREATMENT_SUMMARY Fisher Scientific), 20% ultrapure water, 5 µM valine-d8 (CK isotopes) on dry TR:TREATMENT_SUMMARY ice. Cells were washed twice with ice-cold PBS and subsequently incubated with TR:TREATMENT_SUMMARY 100 µL extraction solution for 20 min in a dry ice/methanol bath, followed by TR:TREATMENT_SUMMARY scraping. Supernatants and cell samples were then stirred vigorously in a TR:TREATMENT_SUMMARY thermomixer at full speed and 4 °C followed by 20 min centrifugation at 4°C TR:TREATMENT_SUMMARY and full speed. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For metabolomics analysis of ferroptotic supernatants, Pfa1 cells were seeded on SP:SAMPLEPREP_SUMMARY 6 well plates in presence of DMSO, 1 µM tamoxifen, 1 µM Fer1 or 1µM Tamoxifen SP:SAMPLEPREP_SUMMARY and 1 µM Fer1(25.000 cells per well; pentaplicates per condition), and samples SP:SAMPLEPREP_SUMMARY were harvested at 24 h (cells + supernatant), 48 h (cells + supernatant) and 72 SP:SAMPLEPREP_SUMMARY h supernatant only). For sample harvest, supernatants were centrifuged at full SP:SAMPLEPREP_SUMMARY speed and 4°C for 5 min, and 50 µL of the cleared supernatants were added to SP:SAMPLEPREP_SUMMARY 350 µL ice-cold extraction solution (50% methanol, 30% acetonitrile (both from SP:SAMPLEPREP_SUMMARY Fisher Scientific), 20% ultrapure water, 5 µM valine-d8 (CK isotopes) on dry SP:SAMPLEPREP_SUMMARY ice. Cells were washed twice with ice-cold PBS and subsequently incubated with SP:SAMPLEPREP_SUMMARY 100 µL extraction solution for 20 min in a dry ice/methanol bath, followed by SP:SAMPLEPREP_SUMMARY scraping. Supernatants and cell samples were then stirred vigorously in a SP:SAMPLEPREP_SUMMARY thermomixer at full speed and 4 °C followed by 20 min centrifugation at 4°C SP:SAMPLEPREP_SUMMARY and full speed. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Vanquish Horizon UHPLC CH:COLUMN_NAME Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um) CH:SOLVENT_A 20 mM ammonium carbonate, 0.05% ammonium hydroxide CH:SOLVENT_B acetonitrile CH:FLOW_GRADIENT 0–2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% B; 17-17.1 min: CH:FLOW_GRADIENT linear gradient from 20% B to 80% B; 17.1-23 min: hold at 80% B CH:FLOW_RATE 0.2 mL/min CH:COLUMN_TEMPERATURE The column oven and autosampler tray were held at 40 °C and 4 °C, CH:COLUMN_TEMPERATURE respectively. #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME an Orbitrap Exploris 240 mass spectrometer MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The spray voltages were set to +3.5kV/-2.8 kV, RF lens value at 70, the heated MS:MS_COMMENTS capillary held at 320 °C, and the auxiliary gas heater held at 280 °C. The MS:MS_COMMENTS flow rate for sheath gas, aux gas and sweep gas were set to 40, 15 and 0, MS:MS_COMMENTS respectively. For MS1 scans, mass range was set to m/z=70-900, AGC target set to MS:MS_COMMENTS standard and maximum injection time (IT) set to auto. Data acquisition for MS:MS_COMMENTS experimental samples used full scan mode with polarity switching at an Orbitrap MS:MS_COMMENTS resolution of 120000. Data acquisition for untargeted metabolite identification MS:MS_COMMENTS was performed using the AcquireX Deep Scan workflow, an iterative data-dependent MS:MS_COMMENTS acquisition (DDA) strategy using multiple injections of the pooled sample. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples ES01_001_Intracell ES01_002_Intracell ES01_003_Intracell ES01_004_Intracell ES01_005_Intracell ES01_006_Intracell ES01_007_Intracell ES01_008_Intracell ES01_009_Intracell ES01_010_Intracell ES01_011_Intracell ES01_012_Intracell ES01_013_Intracell ES01_014_Intracell ES01_015_Intracell ES01_016_Intracell ES01_017_Intracell ES01_018_Intracell ES01_019_Intracell ES01_020_Intracell ES01_021_Intracell ES01_022_Intracell ES01_023_Intracell ES01_024_Intracell ES01_025_Intracell ES01_026_Intracell ES01_027_Intracell ES01_028_Intracell ES01_029_Intracell ES01_030_Intracell ES01_031_Intracell ES01_032_Intracell ES01_033_Intracell ES01_034_Intracell ES01_035_Intracell ES01_036_Intracell ES01_037_Intracell ES01_038_Intracell ES01_039_Intracell ES01_040_Intracell ES01_041_Media ES01_042_Media ES01_043_Media ES01_044_Media ES01_045_Media ES01_046_Media ES01_047_Media ES01_048_Media ES01_049_Media ES01_050_Media ES01_051_Media ES01_052_Media ES01_053_Media ES01_054_Media ES01_055_Media ES01_056_Media ES01_057_Media ES01_058_Media ES01_059_Media ES01_060_Media ES01_061_Media ES01_062_Media ES01_063_Media ES01_064_Media ES01_065_Media ES01_066_Media ES01_067_Media ES01_068_Media ES01_069_Media ES01_070_Media ES01_071_Media ES01_072_Media ES01_073_Media ES01_074_Media ES01_075_Media ES01_076_Media ES01_077_Media ES01_078_Media ES01_079_Media ES01_080_Media ES01_081_Media ES01_082_Media ES01_083_Media ES01_084_Media ES01_085_Media ES01_086_Media ES01_087_Media ES01_088_Media ES01_089_Media ES01_090_Media ES01_091_Media ES01_092_Media ES01_093_Media ES01_094_Media ES01_095_Media ES01_096_Media ES01_097_Media ES01_098_Media ES01_099_Media ES01_100_Media Factors Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:30 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:48 h | Sample source:Pfa1 Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Treatment:Untreated | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 Treatment:1 µM Fer 1 + 1 µM Tamoxifen | Time point:72 h | Sample source:Pfa1 valine-d8 5126177493 6501431567 6114026242 7001784973 7008404469 6223378142 7333798111 5854488328 8928313213 8161853893 5642273392 6572882137 6040300285 7748803984 5570976116 7987599143 7326498484 6497532837 7867339358 7758626773 8808417951 8722057771 8700618594 8579693132 8710543326 8609115162 8574836054 8321611668 891995497 897749028 8640032821 8105085374 8484573897 8808566804 8455444748 7461553563 7811123316 7592257155 8275775618 8473685989 4387139761 4390991857 4279711337 4350505972 4446125503 5787669553 4459531527 4890343571 4349504325 4329873487 4885529803 4555700322 4422398341 4650927368 5854741293 4533579054 4581336942 550660095 4564862218 441740028 363490488 3751411788 3624275179 3701471615 3653837884 3641116765 3630692898 3700374377 3647359133 3724633832 3887007463 3792107369 3680640101 3639117666 3861412041 4131010366 4540398033 4127899643 363940005 4131489483 438522870 4395206408 4599347787 4489461062 4505890416 4470059193 4554445354 447241366 429702874 4443093559 4460480976 5396109314 4472192726 4402381327 5180903346 4403943686 4344299827 4504571823 4474789677 4459715716 hippurate-d5 2663167339 3141657534 2827972625 3223128664 3112374737 2899449378 3360032219 2762070790 3681723505 3550672064 2716640625 3049190262 2906361065 3367785280 2815904480 3565131941 3336958508 2896926360 3459205131 3410790514 4339141158 4042503476 3956300183 4072205675 3953402991 3769528539 4160107975 4079079971 4039368624 4030433878 3950226668 4053248154 3997451968 3975797251 3897498977 3680451960 3848509532 3897928221 4157701690 4147349082 2654555542 2694109468 2540313670 2494353447 2639070702 3164659709 2561945953 2802150218 2801570642 2679259177 3090142283 2765980075 2675276377 2775980885 3059977751 2826938795 2703305673 3206802328 2624257645 2689232101 2397246373 2387376016 2457237247 2529864122 2364675385 2399145310 2408969334 2429138872 2436335040 2541820040 2568880234 2576977105 2411255409 2257024105 2540125109 2642325500 2937230765 2776827623 2379439779 2636872207 2567540914 2746445934 2966754606 2702241107 2826158370 2828086001 2853032736 2769662459 2633651648 2739473290 2757818797 3139878920 2710175858 2748649788 3194738753 2783776841 2621012090 2734778217 2820459212 2691721752 1-methyladenosine 1037820173 4709059038 5299539973 4811797939 5376578611 4278441992 1756210421 4280593272 30343185 1438249558 3885246619 3769692355 3292048293 298509006 6405685448 1726039427 2284133195 213676509 2129897512 2571668652 1549995282 7000195135 1465182049 34569261 2912394742 2681165746 2216217709 4583659783 2176400384 3501116134 119100344 225962266 1974336337 182028053 2749871973 2694270537 1227915135 1583833987 1502386933 1725206666 915428457 8601239017 8057147668 74016733 7578610983 6644137041 8160479338 9670378664 6105296071 4888286623 7405927243 9996584837 5048658549 9198395486 7319288264 847281877 9611954305 7996669114 7526231646 7459348211 1405477815 128777201 1430466656 1525442714 1200913884 9095701363 1520992063 1433460192 1632021137 1283413291 1613336599 1318153667 1842183207 1894309375 1187865792 142965327 1426930538 1496763272 1344288713 1404407934 9475009579 5165866612 6181571125 8048671404 5497272778 8056341271 7102973832 1129462794 6094591839 7443653996 5820796992 6003229653 7168745409 5990995883 5602050552 6248692829 5698773128 6582769022 5803779863 5510195105 1-methylnicotinamide 379763091 4680102186 4669562377 5229406241 4968180477 5180766525 5520369554 5122171558 7374459952 6449904432 4391168754 5353611427 4936860685 6153615593 4865459091 6309490142 6588150843 5684846213 5891031802 6331171094 7560579091 6493217009 6786687804 6837726256 6927898702 2392624576 2017258512 2724685284 3017288612 2668144759 8638766074 7912042431 7859974379 828938276 778364678 7493044946 7002023138 784835778 6781924769 7413157134 2692631559 2478209942 2394269766 2603242353 2379596378 323776389 2519993749 3112101364 2689209488 2543731341 3019032378 2648634298 2611839878 2768741152 3272817308 259863727 2648179724 3433293286 2454960448 2621506927 1834190335 1889950667 1908277614 1951405134 1833221377 169282539 1617486571 1783556753 1703755135 1638611034 1954726582 2084356032 2057523704 2011239641 198021518 2196867109 2541989939 2345698117 1818750432 1948068313 4145120426 4120062712 4196519203 4240364813 4001912178 195759791 1827083716 2002374267 195984137 1775255347 4608494014 5375563735 463148937 4506602289 4736761526 4998152834 459030066 4105099555 3920294448 401876869 2/3-phosphoglycerate 598556053 9372714364 9521021364 1061348901 1186761763 6950734681 1210487606 9583351427 1462916056 1408840858 9551476563 1201352951 1009102674 1479920934 9206247138 1474393454 1274473101 7329027143 1000981848 1242755304 1210583237 8514313873 1041383003 910428295 8846411592 3410823207 3710645147 3273050806 5242800025 4383955264 1488350921 1298977407 1247574163 1333649971 1102135634 717142957 7066400988 7704343526 8908213627 807677149 2483828374 2413400447 2459829572 230839347 2677059776 2691246213 2397662058 268028379 2486204247 2428874459 257367687 2278558952 2334812271 2371342969 2481785413 2645172619 2397907437 2771441295 2167327996 2442732705 3558344151 34155529 3542779551 361321536 3386729405 3772722749 3463295126 3803836907 3751932322 3581632569 3486908077 3491759807 3494438817 3455912334 345977577 3698761134 4285024944 3771661097 3488045378 3961874994 2872937554 2842566925 2899070995 2844817068 283389858 2853823768 2876783818 2874646189 3046107296 2904088628 2906470416 3173898723 2866193945 2837202136 2950340682 3073512743 2809471051 2779393732 2763542879 2760671767 2-hydroxyglutarate 29534774 2448509632 26895896 2657861667 2575662428 2170041254 2015424131 2544808802 2769164345 1974706205 2053434832 247409082 2261858157 2070683668 2744879246 1866894666 2097990932 199508477 1722074681 2140129721 2073853117 1822950115 1962438966 2362439438 2180700231 1271862313 1258908446 1560935218 145838083 1182502233 2092680489 1960841977 200180947 2044711831 1938565159 1872961719 1638397633 1780943194 20208648 1847283587 6411389118 6630740348 6966953201 6236569065 6786371253 7156172634 6426981999 7150341502 6241916337 7053278773 7284869243 6150529344 6762559818 6174834674 6812590947 6757139615 6262298956 6838129362 6234261827 6373280543 158365438 1478179493 1533475955 1640817783 1529707145 1585479888 1538620644 1568485396 1636975733 1567670751 1520880649 152718400 1709781141 169630391 1507971562 1644610352 1865798746 164927153 1546437125 1744387963 1715870346 162444967 1588865097 1581117007 1527664303 1422756081 141145614 1442589018 1516567527 1462922582 1634325609 1784070034 1643428463 1623458874 1663531624 1645903206 1588500357 1582770829 1527516747 1533288782 2-oxoglutarate 6041846799 4860574536 5082521795 5441505883 4691318541 3423790719 402978865 4616526351 4988920429 3317247509 408719959 53911635 3955745758 4030419413 4963628554 3710561716 4426536505 3504156285 3095104419 4870683295 3214390863 2204876626 3018439206 4472397452 3812937751 199474032 1852362638 2679678815 2120683605 9563156794 4215375161 3845590238 3664111862 4054125071 3866824427 3051247943 2605047597 2730503546 3376976813 3092845435 2358354855 2197573552 2383550695 2243153231 2301835934 284842163 2351859014 2617625403 2287593193 2340057132 2578434367 2377558841 2228455127 236801851 2554406714 2481851576 2375935554 2969355442 236324003 2374912263 3585047412 354043362 3653593245 3780962327 3525293603 3544800812 3603829316 3584145023 3615016434 3482277537 3641496828 3760834011 366885733 3629774779 3688908911 4199286819 4467793606 410262039 3591888727 399122741 4193903587 4082379078 4281367766 4459424479 420792451 2972283679 2718915651 2990455099 277967289 291752606 4613233115 5072531921 4497055598 4415548716 4580523259 446568971 4294217825 4429886718 3982941961 4051787845 4-hydroxyphenyllactate 1923591672 1357390265 1626300375 1405297063 1597438446 107870594 9774638516 144153531 1244288522 9710811465 1160695427 1434981885 160169773 1185366908 1698536277 9442420383 117985535 1097147411 797276958 1026158358 1652430988 1361982649 1441046074 1755867161 1576478744 8157829428 703455253 1037235434 9171650409 5872391562 1576903808 145362293 1542333318 1587177085 1464501195 1782158005 1497228303 1713460681 1596793555 1619887626 1836212728 2223999586 1855646311 207421716 1864608802 3759821027 1888056655 3546233956 1758103797 183659835 3313104586 170368859 1871368088 1816125267 3461037361 1796121068 1674236702 3784256701 2530696003 2208424458 2613357824 2547487279 2256185994 2176622081 2291249732 2336324776 2053055562 2780827703 2054357282 2428503993 208792503 2907793492 2805359766 257867078 3050463322 4206761212 3964219559 4388928752 2600612762 3215809996 2597783774 2037819726 1898816417 2046699898 2344483598 1857734505 1767739906 1832207035 2151042916 187116209 203721448 4414044876 1946523823 2000350819 3976667126 2230367861 2172838907 2018377222 1951132707 2195839158 4-hydroxyproline 1066597697 5419943358 52973120 4792154617 5636501353 5411236482 3657492551 5078895529 3729836864 2585252899 4587149846 4879914311 4237832948 3333359065 5033211868 2909414231 3689719746 2643489461 2928698454 3660456755 5714757343 3659598742 4274025751 7882418505 53377065 7468852601 5950325117 8938022504 6657794137 243088214 4904776981 5426151696 5613849106 5890002856 585819962 6718789654 5021517184 5066864108 5982058427 5731832826 166015553 1483540461 1467696679 1467478074 1491082394 1259206056 1496812926 1389914388 1217005089 1099733616 1476088489 1666383705 1119106599 1576225838 1685097789 1515412228 1795224879 1513962742 1028049211 1588230972 2159042649 1894546743 2072083471 2404658062 2027615185 1866331417 2407675634 2237277156 2446514037 2341029783 2230428789 2179962032 213327073 2196675443 2006116302 2197276782 2814149718 2120970 2035189765 2670638322 1689536176 2041250219 1898065256 2044652939 1960720128 222372601 2060020441 2163643433 1752355518 2100007841 2069938867 188393116 2135931879 1766222051 1959515018 1910692326 1708697592 1977496665 191179283 173173324 acetylarginine 1080302384 6145994287 7410476501 8993398941 858324581 804902559 6565388132 4756244776 1010373985 8313630984 6027623956 8292540566 4542020259 4624543965 9227955158 6588944114 5001804909 4531703937 2076142329 4264538972 3656819773 280044858 2093638536 4097450779 3395905842 3869818389 2592933062 389115445 1629556962 8021827079 3461128247 3399185858 2326864821 3193800912 42792536 3868222194 2330385226 2930605659 3461531866 2538971591 6825938811 7156565045 7001034508 6927014554 715795692 9332487233 6928003663 7795005905 7142395849 6870236792 8194697129 6892335806 6643468022 7099876797 8413064257 733236778 7394981707 9045254727 7406105307 7264412732 1031310301 9851967005 1037234066 1037961855 1017248268 1079120286 1082888583 10909699 1083108628 1018109483 1024291609 1048170327 1026111833 1067966562 1033995848 122844095 1245529603 124269627 1081769841 1154970446 6938700502 669643821 724538131 7383388764 7252242405 7730124439 7490794041 7117125076 7297015725 7426948141 7268278093 8346057854 7652808355 731546375 7918840033 7343746259 7111820373 7220124024 7147049021 6936411204 acetyl-beta-methylcholine 5216056266 3660828621 4657230762 3829777774 4314970005 2412968735 2225375164 3712721164 3021533991 2274546648 2946369998 380942379 3928135371 307087245 4588313455 2206633814 2832012865 22468238 9633189653 2570605387 2785409597 2291985515 2507116329 3293719869 3050286985 1365224826 1234952064 1773728653 1139047929 6587905771 3024667519 2835104077 3074152865 337938848 309859976 1958810173 1480326145 1481507382 1782213942 1584502585 2137554718 2166184306 2422957227 9660262036 195721667 7974231218 247294683 2755862566 3552997889 4711406093 5371253397 6252780404 4443101162 9539172768 1168730929 4206379175 7861403444 72891442 9310660283 1945741454 3555294581 3267210342 3435565302 3404571632 3546339708 1185458058 4432040345 4138690375 4152076889 3827914016 3650877738 3404392316 3845220981 3925141564 3599477065 3845023664 4671396785 4457261157 3660532784 3810823735 6255963714 5398292285 5212512834 5309815794 4908858032 5535865552 5473496107 4166399989 1047241318 5175024685 3580435833 4672772319 4691312011 3923775677 4819009601 4361036866 2952388786 3916796181 3886641578 4005012567 acetyl-CoA 1087624263 1786867338 9535997394 1850970168 3598589408 3342617064 4985719266 9807096001 6968253369 6599995798 6094903021 3948566713 3889128612 1983835679 2933609205 5301780583 5756768864 4021211371 661884791 4227243475 1175341531 9863100921 1071353822 9481334784 1003552678 4077124479 3305322176 2851197158 5183237946 7042095306 1301885719 1075127002 961545439 120201271 1081518832 1158413685 9959321898 1102307752 9800417171 1209206647 246448717 2528121052 2500540203 2486771374 2525424586 3902439249 2514571125 3085752686 2412724524 2452632596 3101303453 2526820243 2503589044 2523435803 3912214509 245758201 2449984146 3827762288 258500292 2521380765 4980027223 4955101338 4983853132 4859979172 4797562872 4303933588 4211662496 4563522233 4352695094 4367165925 4750005767 5053041869 5179724518 503297535 4971158396 5518356869 5720339709 574616359 4540156722 4852551417 6968605904 6569444497 6524191811 6486194168 6692767917 4391579157 4175961704 4439364044 448076046 4222912089 639255498 8504849891 6241814939 610508461 7560935766 6724140721 6379135464 6035185864 5821836298 5676513667 aconitate 3624068363 302720235 3562796715 3338479961 4017557758 213693853 2265611349 3166407013 273858348 2193487663 2304195658 30833286 3339507815 2562448119 3191383738 1844113407 2398865567 1793646476 1379259305 2112920148 1215446727 9247100805 1210735157 2298752665 17060142 1618646234 1745369498 2229625352 1459240602 5012272211 1333777978 1330600326 1287545632 1415449975 1459598369 1367869692 1139414179 1238229499 1516736014 1140714195 5101689804 5135545209 5072602169 5112565736 5058644059 554665504 5162538457 6095936729 5052191239 508546163 6014008774 5349287205 5144431282 5353234294 5909618316 527414893 5415320499 6362923358 5262304345 555409784 8761652649 8364867829 8616265258 8983972234 823866661 8751623287 8817793539 907706529 9254481811 8483581739 8535157798 8615789548 7882474552 7684064187 8223564867 9954963736 9838348324 9721560697 8849314744 8856607478 4964757573 6686956335 7098300904 5646373349 6960791022 7448698654 6949421953 5773271493 703908624 7266251693 7003591714 8004683005 7185405759 6818694877 7743418331 7158531652 6812182542 6941370971 6828797539 6874805215 adenosine 4250725299 442797784 6129747452 6051673062 6872516875 2564603267 5738040842 5787337465 8592812813 851389087 5365338986 7491747976 8988329868 1001275031 5818931333 6793956824 7332121221 4933621807 3770747892 5935904894 4933922338 3371406422 4371761943 6579216952 5984042952 4996749427 418566457 5028025548 4721085879 2121181886 3770387624 3784805452 3703442849 3929874729 3768921527 3103226753 3135308634 3658236459 3728775644 3161186124 1160119613 1200159142 1153914625 1188475864 1120152741 1330162589 1148731075 1348979366 1115935868 1150283489 137595039 1163633167 1207212825 1170803857 1378430599 1168469032 1172560481 1470126332 1193064147 1199900527 1397618298 1368797869 1340000787 1327115774 1319546615 1379693352 1312015062 136043882 1360608855 1456129838 1379829176 1315820356 1504888455 1538492832 1341477174 1625140594 1718768005 1616042501 1336978112 1471440571 1224089967 1038800155 1102558442 1249136575 1067181975 1084791282 1010784611 1237913844 1075094618 1024540576 1101740724 1342475531 1148416437 1066574766 121326054 1093666882 1084673432 1071553711 1042216181 1050516173 ADP 1143387439 1379817785 1457284305 1659892207 1748880093 1191774749 1591368242 1497627681 2233416384 1830301335 1419929122 1720557742 1473898769 1883878219 1375926639 1840720956 1745628915 1365296853 1662946762 1849885361 2856788622 2803178254 276738036 2202362313 2518807312 6159759298 5997093735 6080994648 9757665103 1424942243 2859575537 2506769904 2545391689 259934912 2450889633 190221483 2000446716 1930896159 1805795575 2235425147 5204641937 5120379920 5015056310 5138893532 5006990761 6072878015 4906154738 6143694846 5246419318 5008272026 6116975182 5113355335 4943774531 5096528194 5886933907 5330655460 5147743410 6320121899 5231534472 5173741611 6361636495 6071234125 6132791171 6122660877 5992889903 6477941300 6293192514 6643508025 6448672257 6140737801 6202677889 6179388552 6318469063 6255215674 6441445480 7568490185 8088497370 7352832110 6301156646 6467998813 4161679755 3993684917 4442365366 4340093831 4271578291 5111291815 4906060515 5015170511 4910726175 4705711092 4443435640 5345892021 4354491535 4466518315 4987388512 4286033231 4250929615 4376323942 4462200042 4343066346 ADP-ribose 3758583523 1092522645 2338230468 1968028763 3474762841 1596837155 8015373351 2012670105 2029429131 2319429302 5228660706 2057698555 2411046502 2218622465 1638008771 2474472852 1726912465 7472067545 4792657561 9713147026 2033288353 2234471988 1790565855 1482462498 2387267657 1423974408 1077622078 1577569516 1884600714 2696292272 1165987948 1104220755 196634095 1960852166 1230779894 1679425438 1500810474 1644410473 136245104 1075349315 8208821794 931530606 8174323821 9242744521 7532057042 1192264638 8021317489 1020624325 6568882159 8260859192 10411254 1012486701 7701844202 8879637759 9577339925 8055922451 9842444445 1336876183 1106521153 840591051 1676719961 1414257651 1335174365 1260000675 1292626454 1716074115 1336919923 1658707277 1429426904 1445840603 130233437 1578582693 1656067691 1406109977 1543723163 1765306417 1699591258 1716786161 1554690138 1572776634 8050500613 715987828 8675042498 8979195325 9541471725 9395877287 8938010737 1073290703 8910897305 8940228492 8858302804 1233757881 9001001043 9185168752 1157622105 9236247957 8272752298 759817614 7819573626 7896914302 alanine 2323684661 2466456387 2718017471 2638015722 2629131583 215819012 1986662203 2374026173 2323890259 1967218756 2171316657 2556005551 2497296967 235532194 2608669079 1954442454 2218219265 1920181946 1770953612 210949423 2536768239 2234932496 2474370059 3078031178 2739851342 1857055539 162601553 2212373135 1841463932 1002554302 2645144126 2616969582 2758613827 2707910898 2606621283 2318533876 1956565348 2113235807 2396580054 2205242059 3266183682 3341431815 335890256 3279686216 321411296 394510456 3388929398 3539666588 3684182933 336644051 2969233353 3095883399 3290394864 3253108223 336657183 3454773898 363045885 3718160712 3361265756 3448854031 1329168689 1299681809 1321654533 127927684 1241233768 1225364054 1138845311 1293781749 1244756395 1304689463 1260592031 129617993 1382101881 1255050478 1228364262 1493062506 1412515185 1461195674 1318078264 138709465 1963489391 1865911658 1995230445 1910335524 1944088243 1395859974 1242601097 1359506214 1303205891 1302464436 1887181708 1959849371 1884899332 1885148792 1881287042 2178225002 2078857705 220814792 2141753845 2201884971 allantoin 3923743722 1397982845 2081945461 1615995916 2061224212 9426383471 6913433932 1905645142 9042151686 6018135668 1261574964 1571931013 1857507158 9710953293 260376531 5752807266 9237154989 8278327282 3600226967 7080240377 9580688817 5689607113 9896931976 1480295941 1112322604 1277230897 9071645835 1605283802 1153897761 4859049671 962758191 868522125 9307148967 9611165857 1170419235 1151052818 8523667666 5235209062 1062852754 969588107 20031100 1770530489 1926564199 1876480133 2251435933 1638873606 1915472147 2542061621 2042650241 1785942848 2211037905 1687177105 1602291694 195236771 1669482208 2413081018 184197546 331897197 1676177833 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3315751825 3703722375 529740663 3412165031 453044527 3084285959 4236105796 3297085496 2617119288 3768950969 3971153041 3463334944 3552942027 4426033522 4605667507 2442199409 2417840652 3166177094 2555900236 1800630585 4386927562 3817270623 3761437642 4136297381 4304871475 4130721326 3407630113 3802607878 3547163631 3423071133 9616758593 1030235342 1004742146 9557766534 1074143345 1079865311 9891509937 1153319605 1003392135 1006810677 1120779753 9545689642 1001131705 9881834369 1047160232 1032840594 9924559459 1085010066 9684664748 1020644772 1458235227 1407055722 137331142 1476160689 1449830934 1481215541 1361416355 1422094946 1553747247 1455381695 1379241916 1381248007 1633252237 1493072541 1420952737 1501348978 1707830809 1455817076 1480178479 1569827086 1137474335 1151453018 1137550495 1161944655 1234746382 1096105966 1025241065 1076981897 1133311213 1081227095 121137776 1355998173 1185384304 1127675074 1254007085 1215672952 1143791418 1146075656 1135489388 1107382441 erythritol 3418871472 149863044 1978922511 1718267226 2034470593 1034452835 9601065125 1771303273 1124823756 8482456674 1336005753 1639061048 1910958157 1139679182 2085289401 7703312356 1116555728 9867037627 5305613162 9066521567 3086372055 2204363714 3153822796 7049545524 4897137585 4641122973 4558994069 6628718621 3986916444 1223248468 3228295716 4071966672 393053638 4034255634 4288845878 4645767689 3146556052 3382898955 4550859606 3202523182 6993618603 6640238451 673364469 6665813557 6980000531 8767232117 6968411477 872491274 7207126394 6957978749 8272676708 6850203586 6707618724 6948016774 7985539373 7732401029 7409099307 9657594468 72445002 7334333328 3783330598 3698506583 3767399128 3883438905 3757407461 8697848406 8847665706 8807981199 8647739819 8354679923 3876124469 3853135986 3725181485 36537019 3968036269 7195277652 768426888 6821473155 5761611877 6469046034 2414610066 429075978 3173302355 2971014882 2840778615 8416830284 8486472827 8425083688 8116039792 8267901354 3093195887 3993955332 3172973332 320297229 3806904372 4946033531 6480291239 1472685076 1462781243 1358128268 erythronate/threonate 1751993973 1077844551 1435084535 1260202278 1546111162 6930358573 6518467503 1266927766 8438780502 6109207754 8982264573 1179436571 136568107 8354903485 1565847153 5837560162 828255376 7147236517 4010686069 6721031963 4400102258 2882119143 4159619965 7858956279 5719237838 5129671503 435604084 6915265332 4145743263 1524923058 4455985119 4784875295 4586686585 4840735094 5246766719 5351539708 3823459515 3912259583 5072808445 4115547779 4881000846 5445674014 4685740218 532888937 5260378755 6586876016 411996596 6642111532 5549182392 4900846469 6619841442 5019795325 4859503195 4122919599 4961289713 3885796111 4881067734 3854544155 4374871088 3716990107 9327663602 923943168 9500015522 9630402686 9275592928 9350486801 9120235045 959225689 9137891364 9050909774 8464191671 9074731815 6603486925 6281553364 9272902785 1077602215 1171573726 1094916361 9230782545 9774761696 4304672502 5878150954 5953853971 6036490617 6030595158 6286976989 6080711125 5989218579 6182176169 6147523169 6101482046 7464293342 6176987136 5669075087 7094625698 6092472401 5978727405 5809131296 5960416039 5883960224 folate 2894473041 1508355991 1924964579 1623399836 1877339707 9380452599 795946892 165865963 1000063157 7119898284 1342734521 1628394905 1761560496 1143008739 2120880649 8190422429 1138655373 9936337344 5777222099 934026079 3102671869 1914294271 3169402842 6843047954 4836606326 5524661081 5157411476 7881869863 4252932845 1139463383 302377183 3798531184 3559581006 3813118949 4095444588 4296447838 3151347559 3278653431 4495046385 3182851613 1559126249 1487203608 1511820732 1485628281 1518834967 1885791521 1480029557 1832347146 1560494927 1509959291 1801955434 1560970127 1508317061 1537780342 1758367851 1629730209 1555568028 1953485693 1554019889 1536809935 2172945578 2109194481 2182148086 2137134222 2010259775 2185364887 2086467527 2193123321 2196376553 2106812623 2125368381 2091381845 2224762427 2176129690 2186370672 2534634487 2649571361 2493001609 2113347246 2324339447 1328171930 1292215279 1397497697 1404230194 1314776878 1550743332 1453819619 1573015002 1547902042 1487675923 1406209053 1633386799 1418333877 1314052308 1484397904 1398739328 1360759796 1366598539 1374600688 1334619082 formiminoglutamate 2552855795 15650123 2019602106 1730595953 1955561136 1149188471 9545427378 1671456256 1118056628 8133357541 1201739999 1725165573 1843107735 1234505388 1900795065 8420256941 1080118399 100869563 5756238678 9415524397 3879703456 2517792409 4277638464 8580671132 6333693245 8280738434 7715878623 1048252286 6774478958 175310525 3846619046 4549309691 4479268516 4704971117 4850630468 5686825535 4123848787 4015590555 6059010717 4137539518 9596244843 8676413649 9480963828 8660811119 9456284489 125218696 8595108606 1193698005 931964521 9053698564 1113353746 9519074656 8981704597 9280090824 1161107431 1028528527 9571605534 1220421636 9382952281 9127347692 1320842137 1215679922 1347545847 1240607607 1157152571 1323088604 1321490703 1306922919 1329622771 120717677 1257315019 1234588225 133056968 1326739481 1333659649 1606003253 1652831984 1555131053 1271739702 140874717 8002774494 7683863094 8633969937 8793029177 7950233459 9695207923 9082043985 9770563123 955308273 9182442085 8919289216 1069605733 8872326023 7856020374 9779239229 8481872518 8072878573 8093200179 8108767332 8212292686 fumarate 5697579507 4464462594 460954962 5269274408 5575277277 3551771253 4007960011 417376187 5255916746 4549300374 4137827736 5072858116 4399779214 550673805 5534603329 379967491 4564041948 3410365039 4037179102 4827588957 6271304294 4700312116 553128149 6250769173 5926858588 2526318884 1912172292 3023411734 2923156035 2014339978 5692907422 5501099296 5428081225 5726600426 5688259299 3865705645 3587401552 3298121828 3885043865 4164477551 2842080861 2878910894 2847046012 279355887 3214908114 2661137024 288611908 306285523 2910254827 2968889049 3010490747 2783446431 294660825 2818012943 2544935906 3105606619 2809524025 2918595821 254140517 2891482122 3899502612 3832000094 4043015509 3985466366 3919331747 4258700741 400652271 4108075353 401334887 3937742558 3849888483 3554078968 3805092174 3929575696 3685049343 4147782236 4564150401 4049785916 3929230223 3545757058 3106687958 3332232926 3298685289 317212323 3247331651 3236556811 3182716457 3124119827 3413892891 3205076599 3204381431 331972635 3400660419 2992868474 3187884011 3307053415 324141285 3219078157 3078736504 2987157438 Gamma-Glutamylcysteine 0 1970920724 2078538215 2450402528 2443690817 9310532971 215380942 1823110038 3246394851 2253353527 1913238933 2024901908 1512985022 3060584322 1269531257 2532877131 2304033896 1848386779 2271199219 2604744032 313211376 2647643855 2887216561 345780823 316480361 1442596003 1255181398 1528281914 2095152159 1529533607 2762066309 2336642113 2617972432 2504008557 2210223234 1510434834 1290233562 1395660943 1644263763 1836058897 8728172225 8455111749 8600078787 8592158219 8932050379 10995080570 8762850554 9767988862 8630621445 8766853164 9746863945 8881514236 8571888117 8765221460 10328174539 9121312579 8969475137 11058564890 9013786892 8968404622 10842867472 10923857742 10723783965 11263872360 10723607347 11262820098 11409259031 11585051310 11652083256 11026796988 10891424969 11164944758 11315430750 11021893884 11004387771 12339027693 13165091002 12420475567 10940629713 11773517182 7488118987 7336478304 7628297645 7738104809 7738508106 8694083309 8747094072 8948247684 8661103031 8646245638 8026125714 8990357574 7913116706 7686843702 8103800271 7694650485 7390182310 7998578755 7577959013 7468679196 Gamma-Glutamylglutamate 4741979177 2357190321 3079378832 266328135 3090920306 1329612225 1252898236 2618098736 1804935758 1292095807 2101511265 2623387153 3022857021 1952743137 3323699442 1444285947 1955218477 1436668404 8495654051 1552427467 4983235239 3259377091 5343268345 1078269657 768840771 5754673014 5126368579 8338222178 4672511683 1124420094 5047137536 5719945639 566467144 6087273044 5752822404 5443543948 3729621652 4835416039 5663302853 4458365338 1131151838 1141181537 1183811772 1096910989 1127863489 1191756784 117051544 1262922354 1208475547 1215724188 1194350401 1236022876 1222162824 1215753908 1097378834 1249318238 1249861992 1324965896 1160262666 115523698 6483773242 6593753704 6868059042 6718696351 6244378148 556154415 519806880 5476520537 5803305781 5396973825 6591592857 6499999296 6756168313 6503615901 6279990124 6867011803 6894037931 7131598958 6655863919 6524585264 8038061895 8117732932 8331887115 8448543088 8222133251 5096107361 4808628332 5024798386 4902107132 4860876562 8771219688 8436677313 8972877915 818720000 790164152 8799355755 8397247017 8834819002 8475271781 8415614312 Gamma-Glutamylglycine 3734339784 1944843767 2309103368 2207905375 2516326625 1788212657 1748940632 2139968375 2607405919 2160924465 1876333688 2288654426 2632720962 2595128153 2467993303 1808463513 2015591543 1491568774 158489549 1950498055 4510845228 4035749759 4085440674 4006549655 4154274669 1356553267 1237813602 1586513079 1726577985 1539959441 4855799294 4199865864 4511334049 5075166141 4270276912 3060739552 2650608186 2921421426 318415583 2990738112 4320173098 3876872142 4023658919 3954840049 364624417 4257604882 4902258848 4839819415 4288837149 4929391627 484210374 4798932231 4391056571 5001404374 4730304288 5375159939 4998097328 6914665361 5202752817 5775535912 2521458238 2509628218 2481461709 2542166007 2254173692 2479158166 2107466409 2307407186 2807009142 2550315395 2680781841 2712086599 2673437024 2857764456 2657979437 3222635852 3366747887 3267911778 2840035462 3050192758 402518469 4097705943 4303074405 4270535296 3966037297 2763711508 2171930321 2895400179 2570411568 235952511 4324717198 400656221 4514100155 3976686845 4090711825 4865312547 4451475857 4841337916 4413791921 4731974996 GDP 1350511351 2851002794 3409347545 3765787208 4194506188 2541156541 4124363748 3581016405 522612566 4565608966 3473462719 4460269672 3873374872 4637549007 329846682 4847290111 5042998349 3516054924 4007491717 4662404558 6794258746 7209515254 6268411446 4093899741 5276526417 9757363741 1003525498 1136440137 1451873003 3137340153 7247227608 5671245767 5652991254 6724004941 512998095 3554804662 4287838471 4634814722 3537163652 4777759844 5083036727 4766369798 5320896446 4733507468 525866484 5776347296 4689487108 5502886099 4981322132 4376710319 5398950049 4914817488 5585894149 5678862386 6454910631 4963803062 5551660213 6199065043 4846705024 5932780961 8272506983 8653778136 8691385964 9368217533 9098199269 8134823388 8923706399 885351811 9342122532 7413742453 8441036614 8594537776 7698771756 7706327535 901670671 1106258946 1045976983 1090964642 8640881739 9583981368 6080516448 6852579684 6515958917 6903086468 6696836019 7250434839 7369246131 650556629 680540268 7306645143 7083512603 8316916308 694411834 6617536292 7567880694 6666445361 6661477722 6859683887 6429448908 6703044425 GDP-fucose 346699768 3445969206 361081759 3946381778 3391993682 3647306264 3792565864 33403555 5037781148 41500111 3125665509 4223720065 3278458265 4847525607 3246718856 4190256931 4396490628 3740367963 4477991737 4296430757 8863422988 7533950784 8141723506 7359924039 7603185035 1886411289 1834165264 1998741599 2731448037 2582974255 9056585666 8415125473 7680820942 868307481 7291174058 5943189017 5280668693 5348423217 5673463891 6183969903 4717410363 4235019394 4436584251 4307089229 4556374057 5328006418 4234167063 5400991747 4517885138 4339248891 522852336 4575582857 4241301941 4501458922 4779240131 4751436418 46178537 5732740315 4609790437 4416265488 6379469079 6286288871 6455907723 6655931808 6083932551 6571724805 6562824643 6827536119 6799663114 632288636 6639070966 6462137161 6600174563 6592554458 6477338191 7411740153 7937389065 7520789588 6318377821 6976384049 3755975479 4245082093 4586382881 4355167924 4562980474 4687030206 4382907794 4886971217 4626574875 462494663 4566967127 5140905323 4566549961 4267980566 4645883128 4566460343 4221875099 4334849905 4326030699 4048567183 GDP-glucose 1851442571 1896543588 1848930108 2396978903 2249070504 1510584242 2545430949 1620056317 2591443855 2272608639 1901711115 2167556595 185980245 2573624241 1674698377 2742657942 2952236991 2297183851 2316529268 2765019164 5373843225 4249980615 4712233813 4606044018 5323622591 1155554763 1195721029 1206400209 1636022372 1342558287 4927492956 448171908 454881839 4822449917 4614928259 332259445 3166599075 3167431633 3275007262 3492010409 5222228193 5017533063 5241541414 5145840089 5264170014 5510927132 5308221520 5345425992 5147230365 5282415432 5252532228 5320733348 5368558925 5255641257 4944563180 5451257790 5444919882 5638571758 5285589248 5398062633 19114710025 19257619121 19721499524 19440427791 18669076312 16264519438 15373235897 16356942504 17222949247 16105991341 19114509625 19609313171 20110559201 19590224197 18535419366 18285818177 19024030049 18639925477 18288216719 18297782377 30390583134 29593475675 30375388641 30381100572 29754111004 15298887852 14382597749 15382686613 15048936546 14754145456 31527501474 29739137045 31848082674 30223598322 27970625842 29100305584 27255451477 26628754336 25255702759 25377261434 gluconate 1269267868 956931532 1108249087 1166626376 124136179 7012466494 7639227014 9595468315 113741131 8015868456 8708994972 1117611993 1052404159 1038221544 113197180 7971006161 9326800897 7571424792 6852207641 9229491765 9585574717 7128003266 8349877457 1050379732 9702005891 5015132094 4411409232 6267643222 4962668905 2925972259 1061455955 9551323528 9405149897 1013841559 9554475848 771555105 6102246524 642014552 6958335904 6853802137 10246220624 9954074167 9982387426 9967079036 9976261356 12395415807 9640285398 11451832901 9958431199 9983963996 11446266307 10193697232 9812814262 10461316279 11506715198 10647529523 10330149437 12658599190 10191891888 10112869905 13559253229 13078284306 13366249923 13416309763 12700331495 13470168666 13516656801 13662479286 13205178726 13140559951 13444846810 12886735854 13265807049 13524539448 13433402994 15328379699 16371178814 14932760550 13237679494 14753736837 8743721897 8792507730 9193090129 8998610993 9096283404 10630645494 9933688055 10424708079 10449402326 10327880212 9400049321 10836538206 9382193339 8904231072 9740493889 9246829498 9111901814 9090658426 9264110090 8954005231 glucosamine 6-phosphate 1163756313 7631269602 9008964474 8771942444 8495426987 3324280713 390871589 4921303219 6348263619 3870897086 6530520533 8260725142 7222799327 8269448149 756316931 5024413697 5156495794 426066932 3233518872 5778699303 9403985075 7179885163 9122195937 961893697 9403533464 2419860452 216138635 3122909337 2768877478 1700856616 1053756069 926765935 9342196313 1025480419 881675076 4663330458 3856436654 4076080008 4598123877 4173866382 1598286670 1549148644 1507054247 1552933604 1509877847 1891267276 1458285755 1838615373 1549447865 1507522768 1862671569 1602960317 1512082742 1545123458 1771763617 1608631918 1583278269 1986814931 1648483380 1588463725 2250612614 2117490548 2130049834 2080811088 2064909890 2140981500 2042684220 2270039553 2184532593 2097328474 2101446786 2187407932 2218561438 2172175608 2149886682 2577643936 2662289241 2525656940 2148393457 2284470017 1414350743 1353560337 1426573226 1470832115 1426576389 1594025072 1518727831 1625111326 1595317386 1533710058 1491432573 1780291462 1493391929 1512631518 1688029688 1475392909 1430321478 1465635685 1438482696 1438539834 glucose 9818649234 470087672 5535495481 4840375663 5678304235 3878429786 2672948575 4862037079 3189229756 2190294439 3922810498 4423278372 4416115793 3308163028 5776034885 2489629611 3160934117 2828071458 2005416657 2950259271 1331629996 8916465343 1405397709 2688471894 2106414021 3090931133 2806827136 3871395397 2435781326 9478707661 1281428873 1691159385 159609449 1597556903 1818728846 2177338887 1593448997 1617151841 2078555226 1605231127 1875739245 2242741996 1939138263 1823957999 1958691891 2239090016 1940810315 2244572994 1688206785 2075606178 2277004736 1708346366 1934549051 177015825 2129437412 1867534722 1763752721 2240376246 2060284183 1828677348 3482325134 2987917705 2933891102 3099254991 2986267951 3803601048 3140758125 3406769645 3295506637 3137159044 2921534847 3211212461 3586647907 338751971 3242940971 3503649927 4028061407 3510248762 3094049016 3211633481 2502558895 2528316387 2405131333 2470403994 2475417733 2482801212 2440046567 2414788068 2580765386 2407154235 2430051608 3124577224 2493070676 2445468085 2677591122 2457897499 2227784459 2138276411 210801767 2081531709 glutamate 5847992339 5375336584 543253060 5727752675 5431026502 6231346985 631697545 5723716928 7873608317 6952483865 5060372068 6248995229 5709500608 6998542655 5419747273 6969095877 6567459961 598095350 6604183579 6518028546 9051569434 8086953792 8732402248 8424363793 841344470 4025921528 3309064175 4195819917 4852390241 4379038806 8939593467 8094689782 8099250101 857151225 7948084115 7503886058 6929036884 7773208469 7209090242 7759161476 311286476 3306436497 3222095707 304526732 292028449 3542208417 3293619673 3262166784 3105357813 3268405339 3624202264 3425543239 3177806326 3314473459 3359409972 3292564318 3287029607 3796480902 3346234639 3417942458 5117691799 4915364601 5220735146 5259924614 4997897567 5317647906 5226184973 5289020063 5352869305 5099326504 5302199261 5067714036 4255635291 4551786797 5127227722 5690757605 6144593628 5639804527 5051966794 5601692242 2696121835 2956479936 3155338598 2994634388 3111283093 381859438 3627805904 3731015412 3833729372 3725996493 3298667596 3579445947 3320429505 306318350 3219360549 3229151103 3165411897 3279007029 3257668505 3162400475 glutamine 7779164446 6594655046 7896774953 7338253209 8198810092 5316505189 5262174448 7164504912 6010868159 5148843707 5657066529 7186869826 7649670613 6423667653 7848774430 5194604309 6021218576 5309234330 4018761005 5325934932 3478655506 2991071928 3252018489 4234044399 3664208324 2918600545 2737462393 3457146159 2849703832 1635488568 3395571052 3250400862 3384594606 3544384049 3358576405 3345297398 2671438593 3095734292 3485743021 3002105998 1394788095 1661336352 1536743758 1476053366 1222299049 1625379583 1663274997 1443894137 1427468117 1504810684 1752190041 1851620492 1542107003 1623618778 1568976929 1490808921 1584374824 1797367157 1704607244 1765172178 3304919712 3304895835 3424754541 3360996722 3229631652 3313157051 3175171302 3304755754 3302002456 3209750983 3270702997 3233087022 2011250684 2329194446 3354852203 3817721507 4112988154 379417173 3332372362 3518657944 1743335362 2242800743 238115715 2030836612 2387192062 2401527628 2247059934 2062755174 2339980575 224901427 2471106608 267396853 240905482 2295744816 257058036 2436970147 2336546988 2346285851 2344520633 2262119644 glutathione reduced 4489550916 4682160163 4348625015 5384240859 4599713046 4577297114 5250041982 4338090027 7019402108 6161326068 4334601194 5025163089 4267865056 6438913777 4264670851 6339040364 5944999349 5247686856 6091537171 6571779378 7802982683 6744778411 7248565018 6890460292 7227343704 2330957201 1853321719 2434636105 3021005756 2767412499 784041050 6888585086 7093560289 7603379545 7020913144 5317337438 4834421771 5256392839 4955616343 5443633988 5390601147 3669720915 357086107 3396188829 398820259 3634807416 3392358088 4480222488 3013666784 3542188221 2968581781 3309651231 1835492464 4159372755 3695896404 3107473781 2817955474 5424092683 3357110291 3919218797 8168623698 6738610757 8914872662 6720471634 7440227733 1146904433 1866924591 1477367786 1413554863 1537924268 7433280943 6316088258 6308339253 6799064135 6450206865 5592440155 547101573 8226528625 6611796809 7149726798 4818307595 4298497103 6068315428 4772229626 4655366172 1989560783 2320044089 2276868637 1624711572 4308087008 4633544454 4907300096 4327558963 3391113181 5083073585 4351607792 5013452826 6180699493 4231485872 4461192814 glyceraldehyde 3-phosphate 2866680175 1513666719 3518710836 1768708369 2440665032 148227642 2585925542 2700976847 2998739472 314726802 3077267391 5407548709 6657117646 4128416576 2952492165 2599814877 2523787192 1386604893 2475982555 2419357723 1033517587 7479382854 8736908173 9604788993 7737188431 1542715825 8867630494 1724095158 3125263436 2029500666 1120355059 1024933079 1001928252 1042776503 9225666371 6569171975 6614610588 5543683167 6226251664 6885656541 119467640 1226807088 1173692359 5303167323 1067126394 496557881 1200956494 1616880443 178840772 1773910028 2061407193 3011589618 185171536 488245389 6719199097 1549650854 377715855 4341196913 4980764633 1032184738 136180336 1266663468 1217374619 1212850784 1244606878 2372983917 1240501884 1372534638 1248878772 1242348564 1222237053 1258415929 1324726953 1286890561 134559356 1580608999 186629870 164853144 1299111759 138127818 1789308089 1687546388 1729771381 1738607209 1671301117 1419034572 1322038002 1033542485 206876737 1380972777 1400515251 2157060402 1647818284 1562609376 2008631254 1550878515 103004142 1461005298 1499737424 1449660516 glycerol 2-phosphate 2928270341 2736081937 2673882696 2964316015 3148917409 2184194291 2083230978 1982508337 2699634189 207925121 2949424128 2939305684 2926193926 3783907781 2693498989 2038240226 2076817778 1820871414 1975257662 2342066928 1635529975 1606416803 1374668952 1783139918 1466797163 1641938414 1263444561 1742147386 1989140861 1358633904 1557024684 1376170345 1288707457 1494093999 1273378509 1948178418 1354191792 1872198192 1766158432 1536923181 1728893969 1590378046 1664815046 7859922656 1466931771 6158403337 1606343896 2070147017 1879793553 186848436 224176594 334051723 1873932649 6109482995 8548537057 1838081317 4626532641 4359412678 5837868471 1356080018 1861456231 1702929623 1660042345 1657580611 1674259811 2774287479 1731907944 1914161283 1712731862 1635622863 165103654 1769434973 1845934349 1702854393 1773677539 216576106 252476380 2234866105 1732876578 1828751911 1782041689 1654021893 1852582038 1878639586 1771793298 1778312804 1692150106 1359621523 2022803935 1703823621 1550571039 2297552349 181348192 1750890458 2097375435 1701859485 1070067014 168488357 1665140453 1540400245 glycerol 3-phosphate 8921626459 8212543318 8639878186 9121304191 8371885571 7158527179 7962191769 762841902 1145452302 9356699759 695584065 9527459677 9034806099 1170430365 8199725006 8335453052 8169478991 6904227223 7705033952 8834633635 7143267955 5368559382 6014185282 6287490246 5327815101 279036446 1887888491 2982807627 328922201 2329328089 8428278962 7058630836 7749303927 8563311275 6608701708 5456276839 4586836307 5169282566 5586596666 5629285469 2015895723 1970438403 198694194 1864684099 1853810404 2208842518 1856196086 2473706693 1923477119 1791309839 2405311446 1732685916 1860171149 1955187132 229610804 2055691419 1967367329 2333801706 2015976895 183041519 3168841852 2803214131 2703583891 2744421212 2785322735 3007668965 2750883044 3192840143 289382568 2713730343 2919706858 3077273032 306238107 2886242547 3011507708 373249571 4079764987 3725981825 2849824551 3163893374 1992023098 1896878473 2239815718 2236433433 2081221263 2264237394 2211704073 2281053845 2085432857 2133201577 230564148 2820339833 2339128906 2301628799 2596703823 2061224292 1832867131 2024366511 1997424404 1835870189 glycerophosphocholine 8131201705 1020349915 1071038894 1113016445 1109961208 6866815179 6893555252 7559091407 8831423475 6956379572 9132024902 1092265272 1000858489 1138173917 9781158596 6555912727 7033067645 6219336692 6016117356 792786338 3160562245 267804814 2681388041 4232776193 3271539886 4279475779 3515894557 5225311897 4503382697 1786392351 2807603721 2627168958 2854819187 3070965792 2723595075 3628556088 254243120 3314447433 3646955151 2977963068 1466320524 1451169437 1499995608 1374819538 1431506946 1590791795 1481025612 1593278899 1378365335 1416345554 1607057232 1391861771 141485434 1410822741 1420150834 1528726531 1476523734 161986568 1394596658 1292552682 234177076 2170366616 2263263337 2336060145 2215692986 2280930053 2240830659 2425193899 2427384845 226739159 2244624911 2280267914 2568546634 2551433841 2291135719 2625417499 2818500523 2518486029 2309888875 2485323315 1567385065 1329355109 1413799568 159713846 1355719256 1515358135 1392993732 1629023893 1457715558 1417767296 1528534936 1653283118 1577807217 143049196 1515177102 1520817127 1364294086 1366026672 1408764173 1275926226 glycerophospho-N-palmitoyl ethanolamine 3685170373 2574076348 3468823459 1834580188 1203910019 5149775163 5392538641 2004703977 7172618327 2079857003 6333754914 7925852833 7555113275 4577780686 186358378 4124877512 4703027856 4249183039 7982770073 7376319879 4122305998 522375908 5181254426 4764428741 4613645808 3494924719 3955208386 4088091121 4933962076 3572348558 4549829502 3414136668 489047955 4290891274 3774317009 4163428121 4667059422 3766559269 4238982935 4500291789 6970928597 6735339788 6467803154 5947673915 5892055425 2401846041 6318913784 5629507765 4512014326 3150131716 4562771668 7649089589 3444607768 7185308145 2877140815 7821732468 7209114564 4017636348 6095227688 6606996993 1577992662 1327938107 1399837244 1474924344 1340845376 8627627809 1495867456 1502099168 1654451069 2056247295 1711519192 140176694 1759333967 1619322022 1199247117 8842874763 1241385763 8280066754 1475366403 1310657633 5291003041 5592622829 6722273137 6596468448 530151404 8438810485 7584920491 8861434754 5791636084 7688967057 5822749841 3932133414 782409202 6281325689 4000831813 6499750189 5351529488 6805158301 6125526491 4880847671 glycine 2839409026 1753109376 2180891759 1819100064 2066967299 1304408272 1222046298 1698639467 1574776501 1200562241 1277082292 1773379336 1887172591 156360813 1999138274 1246084716 1328542493 1198115617 1021584424 128910392 1459031826 1266112093 1505978927 16056717 1552645836 866812607 7365593983 9171308027 8254289243 4800169964 1936373453 1761084179 1903097079 2046114853 1813912814 1316662073 1069587432 1178977702 1314267741 1317461076 9929723046 971299257 9686202857 9608596795 9612480701 1297205362 9689683813 1106708545 9945998548 9977471264 1099698760 1011481343 9581725084 9738732372 1125306581 1014433618 1005994914 1241410239 1013423054 9890175278 1378305185 1377148077 1367725177 1378423062 1318028323 1347426157 1340303427 1384158803 1383295479 1302120763 1376481277 1381402723 1366121011 1353369666 1365060396 1561627076 1713481288 1508132713 1343327764 1543575123 9547380304 9417109196 1003535379 9754350449 9638371718 9838084223 9464159627 9795252432 9686885575 9676608002 1026485873 1178056764 1027428801 9682138601 1053926461 9756314891 9598860307 9811661258 9655759612 9375354474 GMP 1767764491 4264961237 3667730261 5522264942 4842110472 4039675905 496120052 4420624099 669525316 5710649451 5141255409 4935568025 3765754398 5815669448 3891239846 6655011362 5923726483 4992505818 6564382431 6930422073 1389563519 1270637185 1200674344 7096630821 1010783276 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9871812755 1002604536 1031207529 1032741709 1031291939 9818650818 9703892614 9799933022 991060132 1008591215 1004220702 1086700247 1177187143 1073217561 9974451214 1105306213 7264147305 7451256759 7787712699 7640201441 7810771481 8018551653 7820521948 8056650291 7832216352 7831120362 812365643 8441088405 8202151156 784237593 7916494475 7779508206 7666208334 794344053 7566213198 7270594675 leucine 9248330443 5995092157 7417916912 6723936544 7459988505 4146346582 3870267288 6675906693 4653825252 3555897772 5063848008 6352206970 7382297576 5031945822 7517739650 3493951838 4797338036 3920721194 2407746594 4003017883 1594218884 1200747410 1570538829 2840033154 2226296245 1925143525 1769711361 2631723057 1646311788 5641771839 1630707882 1846159782 1762099901 1876349187 1825379324 1906242596 1288842509 1515760695 1913429857 1420359379 3185361958 3642635613 2805206889 2731889999 3059805451 2526191505 3118224228 4064873667 3159421235 6110929894 4281532043 2637709524 3500763368 3101327077 2876143164 3549925324 2802860242 2944948839 2951148209 3204771542 6168793645 5406890677 5209045719 5334389571 4954655132 1109378601 5641134164 5733284637 5927976369 5014754518 5076655892 5541810003 606792615 5562246646 5473859158 609751493 6194111396 6189775857 5632163651 5554526724 3829817804 3752115802 3761824034 4332372942 4092490805 3518538287 3494841622 3498312721 4345367133 3586398987 4118470298 4578949024 407130722 4142070206 4543047273 3891243282 3937017578 3707751317 3741998375 3568011402 lysine 1256908278 7511475491 9624247842 8267570033 9462994392 4502178187 4510963791 7890808507 5619811982 3963939036 6194117335 8273041021 8974765244 5892597544 9271051792 4129185099 5734006122 4367518922 2527793453 4594331314 1613192985 104196205 1659237785 3648988096 2533412044 2516710596 2424407884 3447922487 2130730314 4719658972 1833862595 2003381218 1938039065 2097337263 1974966511 1900157165 1309602858 1363114573 2310428274 139018153 4405965097 2083114302 7457026571 8651415316 1956009054 5408510595 56190005 914722043 8445968154 5361330928 9619724944 6697453852 1147488202 1190226621 4980184149 7208642938 6253562024 3733825888 5940109574 1082383182 8267731373 7615893331 8275540362 8612979892 7929821656 3005221069 2759393981 270085429 2751528985 2698419161 5715238313 528826105 7207636056 6609148617 5202898552 6934630709 7840754888 7351708856 6080133725 7294476077 1490498645 1396684247 1311375698 1617408908 1284002334 5542560602 5114903978 6385036272 5355223612 4994502088 1121900848 1259004619 1056746673 1097294423 100988299 1066222298 9373130629 1034525608 9280939677 9786375918 malate 1198409009 1022150443 1015739432 1125699536 1155103779 8491931402 8253771147 9618166287 1136408598 9310241448 9043539778 1053536365 9706575535 1058790792 120538545 8793546185 9637336003 7971710189 8884501555 1086490661 1350388077 1008215055 1185860987 1279489076 1248386084 5906762643 4714899073 6709637442 6274495769 4616603212 1246190183 1187738754 1174892971 1228892632 1265759785 9000064185 8298418175 7874866871 8740327423 922198998 1369744156 1554584802 1285234729 9285220057 1464916099 1326046586 1738469773 2526567741 1687903359 1256368961 3105159053 4033159757 1160879326 1027825007 9139610804 9097673906 3761989029 8360306189 3606913305 1360543194 9834832416 770920968 9810586152 1054367301 7568482458 638384988 5783144248 5307605107 552371822 5422355575 4687319927 5862482702 8791748899 6056301296 559182956 6442125656 7573733718 7524442489 8207332875 7237600166 9307985438 9707314034 8634542651 7988153133 9995058374 4491289219 4571782116 4482822842 4852256016 4807540022 8669046549 8685071928 6132370454 8364382439 6999287718 7776702298 8020154745 7248533579 6900764387 7395724238 methionine 2610253026 1524683267 1858190708 1633624201 1795650529 109269620 9307892217 1652205067 1114908522 7868674172 1281893426 159050003 1697449359 1165965443 1955215984 8090402492 1085717857 9597039808 6057462024 9562490568 5411484953 4182992789 5089043553 8717064634 6768151628 5470854401 4833723936 7457832569 489758882 182433954 5292399405 5589096337 5576840934 5842481425 5556929369 6456339859 4528261506 524096587 6287884105 4869252706 3438537498 3220693587 2012113608 1986066894 191543193 3152032777 3568303037 4230645721 7953682495 2647550156 2144015922 4679446035 5341971721 3317229186 2757393925 1308347394 2076727806 2596602857 1944432988 2243283084 5846105113 553919798 4210222472 6941863977 4701769693 215254581 3529870534 3265456198 2819505459 201461955 5238691111 4225958665 2908993072 3507523813 454876956 4458306346 4923374229 3473972183 3068028998 3437632033 5486430608 7556537456 7832566087 645776308 7313267923 2823581508 2807200254 2752337428 1910019795 3139246761 9702904863 1079672483 7913467336 7168456595 9121406773 7817521441 8778757743 6799517307 7845965451 74949302 methionine sulfone 2021168623 1122593239 148480859 1223965773 1439422662 7502243224 6234256309 1288127227 8282443246 565957934 9094325827 1156051187 1285579288 893685886 1479016174 5564230558 7952709027 665352934 4231093005 6895999362 3742495074 2770095167 3527953833 5640768117 454283468 3563369044 3100159979 4824493377 3312022421 1226707572 3596652924 3802069523 4039189897 4290077167 3920000193 4114218359 2684269508 3357951077 3892311329 3224658256 1521908195 1555226714 1507172989 1478474699 1568589307 1904864832 1446633436 1627760492 1432343501 1567667569 164372509 149480593 1509695603 1523238942 1620640213 1576089092 1555305821 1713751533 157974875 1517651776 2187049435 2244732166 2150874738 2186046204 2107238329 2296533725 2173107086 2343031235 2400718321 2181526826 2156161474 220698746 2443538347 2563274979 2155833925 2458608209 2564524586 2348832939 220760027 2346337183 1402966751 1218579005 1225404924 1285955199 1275634226 1424643778 132008397 1472020265 1490277935 1430812799 1283397575 1285812736 1266474928 1179846336 1239906056 1280003975 1306553041 1314533678 1225647056 1245304362 methylhistidine 1626410664 197709105 2649560774 2268156656 3005570228 771934795 1503304003 1206667543 1810563212 1285264098 119208319 2424090739 2414135507 1856868055 8978873439 1332383182 175414523 7455607242 8434635949 138967798 8617349873 6511426248 8334223956 156028728 117504886 1040438626 9556153914 1402693248 8767949474 312640064 8841979904 9243678557 9351032092 1005502052 9367533474 9130572139 6922289207 7274984965 104990901 7558158848 302779178 2887420005 298134788 3010235429 2954391985 3177898125 2948060416 3103012782 280534037 2915711972 303421505 321125922 2858352475 3035443069 2885190459 2964891778 3097452675 3336638804 3064486597 2869360035 3227289997 3117747246 3191336735 3281728149 3166166576 3421751134 3555830518 3603960019 3721371486 351938156 3095082973 3094894332 3185729895 3241523329 3008322674 3431543876 368033597 3326939946 3255187689 3245135573 1309198903 134535595 1363473764 137544869 138886816 2619983683 2546397554 2716981316 2579529266 2554305115 1370601254 1414272687 133300298 1313299802 1377130634 1546333626 1624668944 1693034198 1779680515 1709412677 methylthioadenosine 1171983696 1689516569 1907836118 1885226451 2175993584 1401263937 2458722132 1470274229 2583943532 2136334156 1541388001 281210204 1739726852 2606343919 1383783485 2556026884 2450246999 1520897257 2068322259 2331859293 596704118 5301024997 7311420373 8336369115 6453887558 2672996781 297514593 2502890368 43344037 2946385116 1150935682 5904817457 5872318621 6761606998 531076961 3187890239 3179323238 3032438063 4114760357 3544770672 1116531381 1111575872 1123242056 1092751132 1170803481 1267524984 1055468156 1171858506 1116103094 1097814375 1137879214 1018099254 1074284274 1067408654 1100271553 1170166035 1077598614 1223386001 1038111895 109296453 1759633486 1676999212 1794337249 1787036205 1700375113 1804509523 1687043684 1862455114 185802808 1683537263 1706798684 1694554743 1783809705 1773355069 1659342733 1755937966 1990990831 1765261691 1699148807 1840244859 1258178093 1282030514 1333983886 1249889927 1322307102 1292095676 1260812924 1248962226 1365814062 1278254551 1356959326 135795281 1332472091 128442806 1285778953 1475650034 1283516991 1225743291 125492849 1213832087 N,N-dimethylarginine 5914611097 481789002 6056637922 5539861201 6461039886 3291437858 2944046126 5063313684 3808820575 2615189213 3867583955 5153913487 5592618336 3807368115 5818569916 2696550389 3797955947 2885445301 1844088844 3114270298 1669825037 1140439739 1628332858 3195928675 2350508787 2075075193 1870775427 2843444257 1733506197 5562457202 1768483793 1860101626 1849030462 1984329177 2031529572 2082715838 1488898407 1580897779 1972670814 1594730918 62048315 6187757573 6189226951 5204366436 5830261986 5840311165 5847122616 78986771 6970774457 6465068896 800328609 3519045596 6708889659 5196146783 6483329735 6420224283 492799862 5301597879 5177270876 5611190304 1007639562 9383087522 8817984152 8955607561 9463515391 1111144124 8499159917 986899443 8895069227 8998977627 967335277 1016320181 9620758852 9487049723 979764713 1180061057 1397856553 1192362941 9267137109 1025015475 1292119773 1289032862 1410932894 1390524923 1323604153 9750651964 9195242297 9157013084 966671974 8963981701 1435009442 1809088212 1467695798 1425661344 1609017765 1335344127 102224417 1211134775 1177747925 1152949423 N6,N6,N6-trimethyllysine 8201717096 5045530944 6531312499 560896159 6692838256 3492353084 3017691404 5461298494 391183964 2629365434 4172843757 5427485385 5580767178 3859482091 6591785322 274717887 3821797851 3163361449 1876229734 3163525035 1727370825 1170712461 1687909217 3155027714 2398738191 2069788645 1909817669 2816443027 170080299 6064834781 1726721718 1932564829 18640529 1955488659 2006895033 1888122327 1497858799 1476709835 1975829672 1553282446 7912758811 8028309949 8205538655 8397069359 8314693423 1028314748 7826953205 1092893491 8371039624 8623900746 1036868448 8365485076 7912833694 8178756934 9847513447 8558121678 8583666185 1127890589 9104348899 8759223583 4494807885 4147861456 4545946383 5082868741 4672857767 9407147086 8951160943 9489162631 84185286 935483772 3488777906 3523484047 2937215765 3342681905 4115601802 7591472568 8820236678 7712007951 6125754743 6740150687 4096961595 7404525322 4735242795 5633210569 7225427419 9127873561 8414901126 8715932045 8544610188 8709689585 6348757733 6354910101 3593882467 4858864369 5532401809 1159355865 7007788844 109645209 1098163662 1377412166 N6-methyllysine 1277341018 4389025629 5824538602 5002483686 6101751708 2617176836 2378627086 4683444535 309877449 2236245914 3696716481 5359617122 5420915979 3496979556 6034039607 2517130892 357123481 2616630231 163836409 2635256653 3344655605 2394199969 3333341747 4684318099 3687909717 1894009892 1823606672 2433560873 1922906612 847617978 3865800124 3289509408 3307188799 3635015442 3371822859 1687037292 1530502366 1488105513 2192471502 1625648412 1069125945 1030541065 1040109372 5770539849 9985660655 5429417266 1085123726 1341944026 1222868068 1213985709 1447654223 3755103661 1247296284 5319853304 6907447486 1241779756 4501225321 5107482084 5471728221 9856505147 1230552039 1233535296 1180098910 1226562158 1156770032 1818450014 1198498648 1269857802 1242403819 1161098570 1120172434 1173572306 1211138212 1200183319 1217843557 1436837107 1616156877 1450616762 1202330242 1238678311 1202340074 1133405623 1175298978 1150157173 1164872590 1112041570 1092190272 876663663 1389440328 1087155571 1017470520 1373500979 1116324726 1071805116 1290649987 1065227762 8133544385 1027268655 1082736086 1065983481 N-acetylaspartate 1104678844 5717995435 7635880999 6525679518 7903329944 4305886751 3813926471 6637936412 5542511115 4019494277 4650025368 655998606 7381658347 467965725 7790662018 3880608723 4615531832 391149453 2574273805 3676193674 1872586217 1607942534 1950951718 3527699123 2491108225 197109763 1922100471 2612949147 1946619819 8929970038 2391767522 2313484111 2027851183 2285807158 2200505255 2244931669 1771462498 2038381743 221432264 1776220501 3359038733 3445896526 3312994474 3331684467 3265283352 4089951180 3310827700 4059902185 3251082261 3331097424 3990226682 3280297882 3230028166 3297577870 3976055411 3314507200 3241649541 4244363386 3449789234 3403085026 4092450925 4069204557 3950569387 3930976108 3904264119 4054387382 3900025724 4165975876 4023256675 4076470496 3886960986 4021100602 4088299304 4151141014 4060021482 4817953561 5056615654 4749306141 4059103874 4217703973 3265537217 3063462389 3104528714 3111443247 3201161721 3340287176 3228797125 3335026673 3429810179 3329310879 3196722063 3894228584 3180764077 3024084099 3695438854 3259640567 3126827258 3209009908 3156059373 3195556138 N-acetylglutamate 5208098638 4106761723 453630271 442917633 4716567068 4620625993 4368209426 4972827923 6424963893 5450363162 3790149252 4488723708 495574562 5211481369 4723170227 5511900331 5368985681 4632683783 4544628644 478349551 5548000785 508463416 528068576 563860347 5359237936 2395441757 1902982154 2769177099 3150345998 2376482732 5473079145 4875931484 4863413211 5378892478 488618591 4959054593 4116023089 4952827217 4606489382 4842969566 2114044496 2037387251 2049374951 2018658235 2030659952 2448882820 2032411796 2363286723 2096902828 2058362276 2335331330 2086337351 2022741623 2056339687 2244676222 2174823382 2072595967 2497952484 2115449530 2105346352 2958510388 2894596328 2964801545 2934892262 2777263281 2983489136 2869785157 3008551692 3015118781 2881857850 2847330189 2839093134 2971094800 2967296088 2972557744 3325133378 3470300630 3259117793 2917848996 3129902539 1820585430 1768070757 1876255177 1869228902 1841236826 2093561842 1964949786 2123094158 2113923847 2026501787 1897866010 2128252731 1890705697 1807460171 1946480575 1905852863 1857102621 1858735107 1884890858 1826606003 N-acetylglutamine 5156233307 4512626479 4465896792 4697800507 4670771004 5195420265 5787778054 4787700768 8271055641 6685290174 3869334468 5381328295 6302354656 6140953651 3739027935 6803080679 6022760942 5656967806 5917899361 5983625707 1123811337 9561358317 9166579551 1011702624 9217457539 4438750525 3307700307 4835188501 5656768938 3680083447 1062851428 896920779 1009400351 1058949872 9026356188 1013846637 8135308356 9967472625 9728055264 9226074817 4490994255 4370099100 4430810806 4454932647 4418787239 5089731533 4332326750 5220881404 4223214328 4467031646 5316848837 4441613283 4400341901 4393608865 4880939869 4668464381 4498125365 5440354377 4522864169 4562320840 6506929696 6559873730 6637333837 6499487447 6239600538 6764836042 6453798928 6817099515 6750128518 6407977466 6224356914 6518654431 6756883458 6547197605 6349819368 7553884678 7734694721 7507668602 6528225037 6745442583 4125018845 3994672890 4197417457 4231631144 4196838456 4657353886 4375375453 4709578948 4647257115 4553019933 4426219221 4916780096 4396609136 4129187317 4784203828 4295333703 4151166888 4322519412 4262192231 4194972459 N-acetylhistidine 6991002805 4313522303 5673101147 4669602562 5501162058 2706879524 2416177661 4637639342 2907771648 2043001461 3513854972 453775551 5268545662 3113076263 5758974143 2118879521 313174443 2608422086 1413779693 2541062581 72796116 4478144101 7538714784 1781454073 1249224347 1308090523 1238334812 1889657572 1041369809 2739258456 7538344574 9698769005 9161020134 9583201483 1025839787 1086131762 7167334012 8046761568 1115671503 7741753701 1697387119 1603945039 1659263497 1688327434 170065598 1911993056 1665750973 1750868855 1654799473 1674406441 1746863052 1742894072 1680222877 1787605495 1777682651 1799936672 1770731918 1979602264 2009218951 1687861443 2330153061 2378905459 2472992157 250445837 2165686798 2387424514 2443898763 2378820743 2499958452 2446837137 2358591173 2332125481 2293453256 2344139301 2355719888 2617256532 2760505598 2540680802 2276190695 2487967943 1672966389 1824649194 1778046707 1705767297 1811952315 1896435676 1826410403 1925294837 1849219462 1835341296 1897791658 1993704934 1827479464 1797441584 1834478214 1782087731 1802287228 1795981811 1767627505 1743053504 N-acetylmethionine 1074995528 670285589 1100298055 9229889744 6049560387 1241319016 6643741853 7671494572 7790207151 9834484577 7075873084 637130477 1342742166 1206816478 8649366879 7189271756 1133034971 9284861956 8457130011 7192941581 1941561405 1418148213 1381811165 1797023713 1410794107 1825315112 3834734704 207447204 3337053804 7919302961 2231304458 1929074736 1733274996 1920839589 149321101 1681087309 1277162775 1412119787 1234232272 1458548482 1890315522 1973366066 1936514803 1842930598 1603550868 1989634779 1886569139 2147380759 1890461827 1790256655 2056350847 1880339439 1667558625 1740857525 2206839221 1530914957 171447829 2044775409 174279726 1672250445 190496458 1928670819 1890911994 1581547463 1838113779 1614078862 1571241726 1717966904 1619368373 1797775744 1902710295 1913848539 1416948044 135994830 1805752831 1924215512 1933384934 1782597885 1693192611 1841970562 1817284464 2050797608 2001145851 1765114898 1904065361 1621690961 1668585461 1452741264 1593764119 1843801949 1843802826 2255696749 1883209894 1759048789 2311179554 1778641039 1833217723 186980069 193270325 2043076199 N-acetylneuraminate 3175173109 1562667473 1800836931 1707992273 1946296506 1113556398 1028936633 1529291093 1368636403 9476351647 1344332139 1632080439 1444349294 1380079631 1754405626 9275486048 1215344771 9443931424 8094915548 1165380106 7024397486 481981901 6871261011 1111971566 9185432432 8523363322 6904948369 1221627621 7035961929 2770182676 6312462948 7139017461 7435671307 7236495949 760561679 1029010869 6248457219 6256633437 7250386264 6130423269 9374222815 9853602823 9469569891 9214582777 1003496343 1144815651 1020072188 1004732132 9568677195 1047259507 990115994 9562448619 9849927716 9696402124 1016475637 10832087 9904841332 1040948925 9844645627 1020383949 5951988928 6024592051 5765463131 5655658954 5706069962 152997723 1544869357 1485656148 1406139707 1497398866 5841689767 554875005 6195526059 6025080079 6426350625 830528627 7753211605 75058666 7735220581 8643953142 3545845212 3718610507 3757998475 4129982322 3692604695 1867414105 1934405549 2095213236 185694955 1982370831 3691516717 4017987851 3572000684 3519159912 354432923 3170683054 3986957808 42124925 3913567974 4438127725 N-acetylserine 2108774091 2024575353 2221554698 2317584424 2254273196 2208896763 2075138815 2153160102 2924222252 2242592175 1970966641 2275946825 2384772965 2455650416 225490497 2236436634 2748173867 2157945213 2139590108 2302836233 5426087493 4528296927 4669049282 5138593947 4727619419 1680746526 1272464635 1960510198 215729945 1582730795 5304860096 4697806458 5110698004 526630629 4737172028 4297760165 355897304 417626979 3891462239 3972213042 6443887891 6395931735 6433307814 6376663018 6515061136 8354541636 6484742018 7303189078 6414498359 6442652056 7264783527 6693255275 6462462662 6623849963 7684549468 6804470070 6689345801 8328264955 6787978702 6611671456 8554384894 8518626034 8631797791 8634858055 8224094751 8685282511 8564244911 8731548216 8846353801 8500381904 8521679403 8572391092 8642752306 8589247865 8698764347 9643105306 10464341889 9515494233 8489008481 9565787720 5708263516 5661410184 5952615597 5924946901 5847176442 6650923914 6565455901 6798229703 6611884252 6514584982 6077627345 6935137254 6104727389 5892037673 6397777360 5973666817 5864459921 6060984943 6006277111 5782446703 NAD 3601157705 3791576416 3680352198 4363672762 4137024908 3866334779 4243410332 3987073942 5685345079 4973970133 3638237776 4397375043 3765679639 51431909 3717515844 4948265812 4859366217 4512517515 4585380325 514881866 6037625369 5563230522 585428246 5814170941 6114793538 2134967698 1710171405 2326468148 2689517661 2432056947 6196280927 5437996065 5615205833 6029245838 5759622213 515175772 4616138474 5170911984 4521732545 5100702465 5639699188 7412408412 6779948601 6105110554 4593000868 6657750841 7664185153 5822605433 5843459877 6508445496 7806512142 8839399482 659896284 736585884 6870643247 6336094421 7022110698 7758610106 7639072246 7900907414 1683034012 1660353177 1736261733 1778030743 1640604003 1775793165 181712810 1779178572 1847548609 1806054478 1719511302 1630674875 7481437068 8910595758 1678624647 1951603611 2083389201 1937793933 1637959901 180212463 8169238421 129597576 131595908 1049283241 1234911359 1633729758 1567827376 1304988403 1551019245 1547823277 1329629605 1461987249 1318660582 1227740945 1362529098 1243315257 1237837947 1271370185 124667733 1194506391 NADH 4806943241 1454268184 1077729723 1118549436 8248786467 1601434181 1430192096 1122429284 1636398932 9225528747 152848025 1484842755 8891651374 1609283289 122675397 3534385917 8126179576 5092442759 1116746195 896974395 3025741612 9659428613 1816000738 1500564963 8855359192 1028749763 6072906237 7987072282 1265811956 9068662704 2355441073 2688556588 2453759929 2456988649 216207787 2630594159 2263903469 2729650532 2491099582 2561697703 120973E+11 119774E+11 119341E+11 11781E+11 121088E+11 14288E+11 118642E+11 138187E+11 119159E+11 121472E+11 138535E+11 119608E+11 118635E+11 118822E+11 133493E+11 124725E+11 120792E+11 143796E+11 120537E+11 120575E+11 179094E+11 176754E+11 178419E+11 180919E+11 172724E+11 180094E+11 174996E+11 18068E+11 180171E+11 173245E+11 174592E+11 17759E+11 178513E+11 176505E+11 177966E+11 200155E+11 213505E+11 199245E+11 17665E+11 189169E+11 139936E+11 139252E+11 144584E+11 144186E+11 143327E+11 140421E+11 135608E+11 139881E+11 140113E+11 136875E+11 149162E+11 164534E+11 149585E+11 142504E+11 153027E+11 14493E+11 139971E+11 142707E+11 139483E+11 136878E+11 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB PubChem ChEBI KEGG SMILES valine-d8 HMDB0000883 6287 16414 C00183 CC(C)[C@H](N)C(O)=O hippurate-d5 HMDB0000714 464 18089 C01586 OC(=O)CNC(=O)C1=CC=CC=C1 1-methyladenosine HMDB0003331 27476 16020 C02494 CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N 1-methylnicotinamide HMDB0000699 457 16797 C02918 C[N+]1=CC=CC(=C1)C(N)=O 2/3-phosphoglycerate HMDB0001294 186004 17720 C01159 OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O 2-hydroxyglutarate HMDB0059655 43 17084 C02630 OC(CCC(O)=O)C(O)=O 2-oxoglutarate HMDB0000208 51 30915 C00026 OC(=O)CCC(=O)C(O)=O 4-hydroxyphenyllactate HMDB0000755 9378 17385 C03672 OC(CC1=CC=C(O)C=C1)C(O)=O 4-hydroxyproline HMDB0000725 5810 18095 C01157 O[C@H]1CN[C@@H](C1)C(O)=O acetylarginine HMDB0004620 67427 40521 NA CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O acetyl-beta-methylcholine HMDB0015654 1993 6804 C07471 CC(C[N+](C)(C)C)OC(C)=O acetyl-CoA HMDB0001206 444493 15351 C00024 CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N aconitate HMDB0000072 643757 32805 C00417 OC(=O)CC(=CC(O)=O)C(O)=O adenosine HMDB0000050 60961 16335 C00212 NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 ADP HMDB0001341 6022 16761 C00008 NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O ADP-ribose HMDB0001178 192 16960 C00301 NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1 alanine NA NA NA C01401 NA allantoin HMDB0000462 204 15676 C02350 NC(=O)NC1NC(=O)NC1=O AMP HMDB0000045 6083 16027 C00020 NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 anserine HMDB0000194 112072 18323 C01262 CN1C=NC=C1C[C@H](NC(=O)CCN)C(O)=O arginine HMDB0000517 6322 16467 C00062 N[C@@H](CCCNC(N)=N)C(O)=O argininosuccinate HMDB0000052 16950 15682 C03406 N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O asparagine HMDB0000168 6267 17196 C00152 N[C@@H](CC(N)=O)C(O)=O aspartate HMDB0000191 5960 17053 C00049 N[C@@H](CC(O)=O)C(O)=O ATP HMDB0000538 5957 15422 C00002 NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O beta-alanine HMDB0000056 239 16958 C00099 NCCC(O)=O betaine HMDB0000043 247 41139 C00719 C[N+](C)(C)CC(O)=O carnitine HMDB0000062 10917 16347 C00487 C[N+](C)(C)C[C@H](O)CC(O)=O carnitine C2 HMDB0000201 7045767 57589 C02571 CC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C carnitine C3 HMDB0000824 188824 53210 C03017 CCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C carnitine C4 HMDB0002013 213144 21949 C02862 CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C carnitine C5 HMDB0013128 16226475 85095 NA CCCCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C carnitine C6 HMDB0000756 3246938 84834 NA CCCCCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C carnosine NA 91666401 143245 NA NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O CDP HMDB0001546 6132 17239 C00112 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O choline HMDB0000097 305 15354 C00114 C[N+](C)(C)CCO citicoline HMDB0001413 13805 49086 C00307 C[N+](C)(C)CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O citrate HMDB0000094 311 30769 C00158 OC(=O)CC(O)(CC(O)=O)C(O)=O citrulline HMDB0000904 9750 16349 C00327 N[C@@H](CCCNC(N)=O)C(O)=O CMP HMDB0000095 6131 17361 C00055 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O CMP-N-Acetylneuraminate HMDB0001176 448209 16556 C00128 [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO Coenzyme A HMDB0001423 87642 15346 C00010 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS coumarin HMDB0001218 323 28794 C05851 O=C1OC2=CC=CC=C2C=C1 creatine HMDB0000064 586 16919 C00300 CN(CC(O)=O)C(N)=N creatinine HMDB0000562 588 16737 C00791 CN1CC(=O)NC1=N CTP HMDB0000082 6176 17677 C00063 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O cyclic ADP-ribose HMDB0249529 22062770 NA NA OC1C2COP(O)(=O)OP(O)(=O)OCC3OC(C(O)C3O)N3C=NC4=C(N=CN4C(O2)C1O)C3=N cystathionine HMDB0000099 439258 17482 C02291 N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O cysteine-S-sulfate HMDB0000731 115015 27891 C05824 N[C@@H](CSS(O)(=O)=O)C(O)=O cysteinylglycine HMDB0000078 439498 4047 C01419 N[C@@H](CS)C(=O)NCC(O)=O cystine HMDB0250712 595 17376 C01420 NC(CSSCC(N)C(O)=O)C(O)=O cytidine HMDB0000089 6175 17562 C00475 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O cytosine HMDB0000630 597 16040 C00380 NC1=CC=NC(=O)N1 dATP HMDB0001532 15993 16284 C00131 NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 dCTP HMDB0000998 65091 16311 C00458 NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 deoxycarnitine HMDB0001161 725 16244 C01181 C[N+](C)(C)CCCC([O-])=O deoxyuridine HMDB0000012 13712 16450 C00526 OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O dihydroorotate HMDB0000528 648 30865 C00337 OC(=O)C1CC(=O)NC(=O)N1 dihydroxyacetone phosphate HMDB0001473 668 16108 C00111 OCC(=O)COP(O)(O)=O dTTP HMDB0001342 64968 18077 C00459 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O epsilon-(gamma-Glutamyl)lysine HMDB0003869 7015684 88494 NA N[C@@H](CCCCNC(=O)CC[C@H](N)C(O)=O)C(O)=O erythritol HMDB0002994 222285 17113 C00503 OC[C@H](O)[C@H](O)CO folate HMDB0000121 6037 27470 C00504 NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1 formiminoglutamate HMDB0000854 439233 7274 C00439 OC(=O)CC[C@H](NC=N)C(O)=O fumarate HMDB0000131 753 17754 C00116 OCC(O)CO Gamma-Glutamylcysteine HMDB0001049 123938 17515 C00669 N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O Gamma-Glutamylglutamate HMDB0011737 92865 73705 C05282 N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O Gamma-Glutamylglycine HMDB0011667 165527 73845 NA N[C@@H](CCC(=O)NCC(O)=O)C(O)=O GDP HMDB0001201 8977 17552 C00035 NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 GDP-fucose HMDB0252660 451 NA NA CC1OC(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2NC(=N)N=C3O)C(O)C(O)C1O GDP-glucose HMDB0003351 644106 62254 C00394 NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 gluconate HMDB0000625 10690 33198 C00257 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O glucosamine 6-phosphate HMDB0001254 439217 15873 C00352 N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O glucose HMDB0000122 5793 15903 C00031 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O glutamate HMDB0000148 33032 16015 C00302 N[C@@H](CCC(O)=O)C(O)=O glutamine HMDB0000641 5961 18050 C00064 N[C@@H](CCC(N)=O)C(O)=O glutathione reduced HMDB0000125 124886 16856 C00051 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O glyceraldehyde 3-phosphate HMDB0001112 439168 29052 C00118 O[C@H](COP(O)(O)=O)C=O glycerol 2-phosphate HMDB0002520 2526 17270 C02979 OCC(CO)OP(O)(O)=O glycerol 3-phosphate HMDB0000126 439162 15978 C00093 OC[C@@H](O)COP(O)(O)=O glycerophosphocholine HMDB0000086 657272 16870 C00670 C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO glycerophospho-N-palmitoyl ethanolamine NA 91666401 143245 NA NA glycine HMDB0000123 750 15428 C00037 NCC(O)=O GMP HMDB0001397 6804 17345 C00144 NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 GTP HMDB0001273 6830 15996 C00044 NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 guanidinoacetate HMDB0000128 763 16344 C00581 NC(=N)NCC(O)=O hexosamine HMDB0001514/HMDB0341150 439213/24154 NA C00329/C02262 NA hexose bisphosphate HMDB0003514/HMDB0001058 5459969/10267 17680/28013 C01231/C00354 NA hexose phosphate HMDB0001586/HMDB0001401/HMDB0001076/HMDB0000124 439165/5958/65246/69507 29042/4170/17973/4141 C00103/C00092/C00446/C01113 NA hippurate histidine HMDB0000177 6274 15971 C00135 N[C@@H](CC1=CN=CN1)C(O)=O homoarginine HMDB0000670 9085 27747 C01924 N[C@@H](CCCCNC(N)=N)C(O)=O homocitrulline HMDB0000679 65072 17443 C02427 N[C@@H](CCCCNC(N)=O)C(O)=O hypotaurine HMDB0000965 107812 16668 C00519 NCCS(O)=O hypoxanthine HMDB0000157 790 17368 C00262 OC1=NC=NC2=C1NC=N2 IMP HMDB0000175 8582 17202 C00130 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O Indole-3-acetate HMDB0000197 802 16411 C00954 OC(=O)CC1=CNC2=C1C=CC=C2 Indole-3-acrylate HMDB0000734 5375048 132244 NA OC(=O)C=CC1=CNC2=C1C=CC=C2 Indole-3-aldehyde HMDB0029737 10256 28238 C08493 O=CC1=CNC2=C1C=CC=C2 inosine HMDB0000195 6021 17596 C00294 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(O)N=CN=C12 inositol HMDB0000211 NA 17268 C00137 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O isoleucine HMDB0000172 6306 17191 C00407 CC[C@H](C)[C@H](N)C(O)=O ketoleucine HMDB0000695 70 48430 C00233 CC(C)CC(=O)C(O)=O ketovaline HMDB0000019 49 16530 C00141 CC(C)C(=O)C(O)=O kynurenate HMDB0000715 3845 18344 C01717 OC(=O)C1=CC(=O)C2=CC=CC=C2N1 kynurenine HMDB0000684 161166 16946 C00328 N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O lactate HMDB0000190 107689 422 C00186 C[C@H](O)C(O)=O leucine HMDB0000687 6106 15603 C00123 CC(C)C[C@H](N)C(O)=O lysine HMDB0000182 5962 18019 C00047 NCCCC[C@H](N)C(O)=O malate HMDB0000156 222656 30797 C00149 O[C@@H](CC(O)=O)C(O)=O methionine HMDB0000696 6137 16643 C00073 CSCC[C@H](N)C(O)=O methionine sulfone HMDB0062174 445282 21363 NA CS(=O)(=O)CC[C@H](N)C(O)=O methylhistidine HMDB0000479 64969 27596 C01152 [H][C@](N)(CC1=CN=CN1C)C(O)=O methylthioadenosine HMDB0001173 439176 17509 C00170 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N N,N-dimethylarginine HMDB0001539 123831 17929 C03626 N[C@@H](CCCN=C(/N)N(C)C)C(O)=O N6,N6,N6-trimethyllysine HMDB0001325 440120 17311 C03793 C[N+](C)(C)CCCC[C@H](N)C([O-])=O N6-methyllysine HMDB0002038 164795 17604 C02728 NA N-acetylaspartate HMDB0000812 65065 21547 C01042 CC(=O)N[C@@H](CC(O)=O)C(O)=O N-acetylglutamate HMDB0001138 70914 17533 C00624 CC(=O)N[C@@H](CCC(O)=O)C(O)=O N-acetylglutamine HMDB0006029 182230 21553 NA CC(=O)N[C@@H](CCC(N)=O)C(O)=O N-acetylhistidine HMDB0032055 75619 16437 C02997 CC(=O)N[C@@H](CC1=CNC=N1)C(O)=O N-acetylmethionine HMDB0011745 448580 21557 C02712 CSCC[C@H](NC(C)=O)C(O)=O N-acetylneuraminate NA 3568 17012 C00270 NA N-acetylserine HMDB0002931 65249 45441 NA CC(=O)N[C@@H](CO)C(O)=O NAD HMDB0000902 5892 44215 C00003 NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O NADH HMDB0001487 439153 16908 C00004 NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O erythronate/threonate HMDB0000613/HMDB0000943 2781043/5460407 37655/15908 NA/C01620 OC[C@@H](O)[C@@H](O)C(O)=O/OC[C@H](O)[C@@H](O)C(O)=O METABOLITES_END #END