#METABOLOMICS WORKBENCH landerson_20250828_094719 DATATRACK_ID:6344 STUDY_ID:ST004161 ANALYSIS_ID:AN006905 PROJECT_ID:PR002622 VERSION 1 CREATED_ON August 28, 2025, 6:50 pm #PROJECT PR:PROJECT_TITLE Distinct plasma metabolomic alterations are associated with physical function, PR:PROJECT_TITLE weight loss, and muscle mass in men with cancer PR:PROJECT_SUMMARY Background: Treatments for cancer cachexia, defined as involuntary weight and PR:PROJECT_SUMMARY muscle mass loss leading to significant functional impairment, remain PR:PROJECT_SUMMARY unavailable partly due to insufficient improvement of clinically meaningful PR:PROJECT_SUMMARY outcomes in current trials. By reflecting downstream effects of cellular PR:PROJECT_SUMMARY function, metabolomics may identify mechanisms contributing to poor functional PR:PROJECT_SUMMARY performance. Previous metabolomic studies in cancer cachexia have identified PR:PROJECT_SUMMARY alterations in amino acid metabolism with weight loss or low muscularity; none PR:PROJECT_SUMMARY have examined perturbations with poor physical function. We hypothesized that PR:PROJECT_SUMMARY distinct metabolic signals in plasma and muscle are associated with weight loss, PR:PROJECT_SUMMARY low muscle mass, and impaired function in cancer cachexia. Methods: We enrolled PR:PROJECT_SUMMARY patients planning elective laparotomy for gastrointestinal or genitourinary PR:PROJECT_SUMMARY cancer. Handgrip strength (HGS), stair climb power (SCP), and fasting plasma PR:PROJECT_SUMMARY were collected within two weeks prior to surgery; rectus abdominis samples were PR:PROJECT_SUMMARY obtained during surgery. Metabolomic perturbations associated with physical PR:PROJECT_SUMMARY function (HGS, SCP), muscularity (lumbar cross-sectional area “CSA” from PR:PROJECT_SUMMARY opportunistic CT), or weight loss (>5% over previous six months) were examined PR:PROJECT_SUMMARY in plasma and muscle. The Mann-Whitney U-test compared metabolite abundance PR:PROJECT_SUMMARY between weight-losing and weight-stable patients while Spearman’s correlation PR:PROJECT_SUMMARY tested associations of abundance with CSA, HGS, or SCP. The “Globaltest” PR:PROJECT_SUMMARY method assessed pathway alterations with weight loss, CSA, HGS, or SCP; the PR:PROJECT_SUMMARY Benjamini-Hochberg adjustment was used to control for false discovery. Results: PR:PROJECT_SUMMARY Patients (N=72) were male, median age 65 [interquartile range: 59-70], with 57% PR:PROJECT_SUMMARY genitourinary cancer. Plasma and skeletal muscle metabolomic data were collected PR:PROJECT_SUMMARY (N=64 and N=68, respectively). Weight loss was associated with significantly PR:PROJECT_SUMMARY altered microbial, amino acid/derivative, fatty acid/lipid, and caffeine-related PR:PROJECT_SUMMARY metabolism pathways in plasma (adjusted P<0.1). Lower CSA was associated with PR:PROJECT_SUMMARY significantly altered fatty acid/lipid, galactose, glycerophospholipid, and PR:PROJECT_SUMMARY histidine metabolism and bile secretion pathways in skeletal muscle (adjusted PR:PROJECT_SUMMARY P<0.1). Worse HGS was nominally associated with altered plasma branched chain PR:PROJECT_SUMMARY amino acid biosynthesis and altered skeletal muscle glutathione metabolism PR:PROJECT_SUMMARY (unadjusted P≤0.05), while worse SCP was nominally associated with altered PR:PROJECT_SUMMARY skeletal muscle amino sugar/nucleotide sugar metabolism and phenylalanine, PR:PROJECT_SUMMARY tyrosine, and tryptophan biosynthesis (unadjusted P≤0.05). Conclusions: PR:PROJECT_SUMMARY Significant metabolomic alterations in plasma and skeletal muscle characterized PR:PROJECT_SUMMARY cancer-related weight loss and reduced CSA, respectively. Nominal, PR:PROJECT_SUMMARY function-specific alterations were detected with worse HGS and SCP which were PR:PROJECT_SUMMARY distinct from those associated with weight loss or low CSA. Future larger PR:PROJECT_SUMMARY studies may further characterize metabolomic profiles related to various PR:PROJECT_SUMMARY functional outcomes and guide development of therapeutic targets to improve PR:PROJECT_SUMMARY functional performance. PR:INSTITUTE VA Puget Sound Health Care System PR:LAST_NAME Anderson PR:FIRST_NAME Lindsey PR:ADDRESS 1660 S. Columbian Way (S-182-GRECC), Seattle, WA, 98108, USA PR:EMAIL lindsey.anderson5@va.gov PR:PHONE 206-277-6719 #STUDY ST:STUDY_TITLE Distinct plasma metabolomic alterations are associated with physical function, ST:STUDY_TITLE weight loss, and muscle mass in men with cancer ST:STUDY_SUMMARY Background: Treatments for cancer cachexia, defined as involuntary weight and ST:STUDY_SUMMARY muscle mass loss leading to significant functional impairment, remain ST:STUDY_SUMMARY unavailable partly due to insufficient improvement of clinically meaningful ST:STUDY_SUMMARY outcomes in current trials. By reflecting downstream effects of cellular ST:STUDY_SUMMARY function, metabolomics may identify mechanisms contributing to poor functional ST:STUDY_SUMMARY performance. Previous metabolomic studies in cancer cachexia have identified ST:STUDY_SUMMARY alterations in amino acid metabolism with weight loss or low muscularity; none ST:STUDY_SUMMARY have examined perturbations with poor physical function. We hypothesized that ST:STUDY_SUMMARY distinct metabolic signals in plasma and muscle are associated with weight loss, ST:STUDY_SUMMARY low muscle mass, and impaired function in cancer cachexia. Methods: We enrolled ST:STUDY_SUMMARY patients planning elective laparotomy for gastrointestinal or genitourinary ST:STUDY_SUMMARY cancer. Handgrip strength (HGS), stair climb power (SCP), and fasting plasma ST:STUDY_SUMMARY were collected within two weeks prior to surgery; rectus abdominis samples were ST:STUDY_SUMMARY obtained during surgery. Metabolomic perturbations associated with physical ST:STUDY_SUMMARY function (HGS, SCP), muscularity (lumbar cross-sectional area “CSA” from ST:STUDY_SUMMARY opportunistic CT), or weight loss (>5% over previous six months) were examined ST:STUDY_SUMMARY in plasma and muscle. The Mann-Whitney U-test compared metabolite abundance ST:STUDY_SUMMARY between weight-losing and weight-stable patients while Spearman’s correlation ST:STUDY_SUMMARY tested associations of abundance with CSA, HGS, or SCP. The “Globaltest” ST:STUDY_SUMMARY method assessed pathway alterations with weight loss, CSA, HGS, or SCP; the ST:STUDY_SUMMARY Benjamini-Hochberg adjustment was used to control for false discovery. Results: ST:STUDY_SUMMARY Patients (N=72) were male, median age 65 [interquartile range: 59-70], with 57% ST:STUDY_SUMMARY genitourinary cancer. Plasma and skeletal muscle metabolomic data were collected ST:STUDY_SUMMARY (N=64 and N=68, respectively). Weight loss was associated with significantly ST:STUDY_SUMMARY altered microbial, amino acid/derivative, fatty acid/lipid, and caffeine-related ST:STUDY_SUMMARY metabolism pathways in plasma (adjusted P<0.1). Lower CSA was associated with ST:STUDY_SUMMARY significantly altered fatty acid/lipid, galactose, glycerophospholipid, and ST:STUDY_SUMMARY histidine metabolism and bile secretion pathways in skeletal muscle (adjusted ST:STUDY_SUMMARY P<0.1). Worse HGS was nominally associated with altered plasma branched chain ST:STUDY_SUMMARY amino acid biosynthesis and altered skeletal muscle glutathione metabolism ST:STUDY_SUMMARY (unadjusted P≤0.05), while worse SCP was nominally associated with altered ST:STUDY_SUMMARY skeletal muscle amino sugar/nucleotide sugar metabolism and phenylalanine, ST:STUDY_SUMMARY tyrosine, and tryptophan biosynthesis (unadjusted P≤0.05). Conclusions: ST:STUDY_SUMMARY Significant metabolomic alterations in plasma and skeletal muscle characterized ST:STUDY_SUMMARY cancer-related weight loss and reduced CSA, respectively. Nominal, ST:STUDY_SUMMARY function-specific alterations were detected with worse HGS and SCP which were ST:STUDY_SUMMARY distinct from those associated with weight loss or low CSA. Future larger ST:STUDY_SUMMARY studies may further characterize metabolomic profiles related to various ST:STUDY_SUMMARY functional outcomes and guide development of therapeutic targets to improve ST:STUDY_SUMMARY functional performance. ST:INSTITUTE VA Puget Sound Health Care System ST:LAST_NAME Anderson ST:FIRST_NAME Lindsey ST:ADDRESS 1660 S. Columbian Way (S-182-GRECC), Seattle, WA, 98108, USA ST:EMAIL lindsey.anderson5@va.gov ST:PHONE 206-277-6719 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE median (interquartile range): 65.0 (59.0, 70.0) years SU:WEIGHT_OR_WEIGHT_RANGE median (interquartile range): 88.3 (78.1, 106.7) kg SU:HEIGHT_OR_HEIGHT_RANGE median (interquartile range): 177.8 (172.7, 182.9) cm SU:GENDER Male SU:HUMAN_INCLUSION_CRITERIA Males with histologically, cytologically, or image-based documented SU:HUMAN_INCLUSION_CRITERIA gastrointestinal or genitourinary cancer planning elective laparotomy were SU:HUMAN_INCLUSION_CRITERIA recruited from oncology or urology clinics at Veterans Affairs Puget Sound SU:HUMAN_INCLUSION_CRITERIA Health Care System in Seattle, WA, USA. SU:HUMAN_EXCLUSION_CRITERIA Participants were excluded for other conditions associated with cachexia (e.g., SU:HUMAN_EXCLUSION_CRITERIA congestive heart failure, liver disease [aspartate aminotransferase or alanine SU:HUMAN_EXCLUSION_CRITERIA aminotransferase equal or more than 3x normal levels], renal failure [creatinine SU:HUMAN_EXCLUSION_CRITERIA equal or more than 2.5 mg/dL]), active infection, uncontrolled diabetes mellitus SU:HUMAN_EXCLUSION_CRITERIA (HbA1c ≥9%), or intentional weight loss ≥5% within the prior six months. #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 - QC(I)#1 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#1_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#1_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#1 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#1_NEG.mzML; 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RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#5_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#5 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#5_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#5_POS.mzML SUBJECT_SAMPLE_FACTORS - 41 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-41_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-41_POS.mzML SUBJECT_SAMPLE_FACTORS - 42 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-42_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-42_POS.mzML SUBJECT_SAMPLE_FACTORS - 43 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-43_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-43_POS.mzML SUBJECT_SAMPLE_FACTORS - 46 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-46_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-46_POS.mzML SUBJECT_SAMPLE_FACTORS - 48 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-48_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-48_POS.mzML SUBJECT_SAMPLE_FACTORS - 49 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-49_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-49_POS.mzML SUBJECT_SAMPLE_FACTORS - 50 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-50_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-50_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#6 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#6_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#6_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#6 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#6_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#6_POS.mzML SUBJECT_SAMPLE_FACTORS - 53 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-53_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-53_POS.mzML SUBJECT_SAMPLE_FACTORS - 54 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-54_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-54_POS.mzML SUBJECT_SAMPLE_FACTORS - 55 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-55_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-55_POS.mzML SUBJECT_SAMPLE_FACTORS - 56 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-56_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-56_POS.mzML SUBJECT_SAMPLE_FACTORS - 57 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-57_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-57_POS.mzML SUBJECT_SAMPLE_FACTORS - 58 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-58_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-58_POS.mzML SUBJECT_SAMPLE_FACTORS - 60 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-60_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-60_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#7 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#7_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#7_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#7 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#7_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#7_POS.mzML SUBJECT_SAMPLE_FACTORS - 61 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-61_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-61_POS.mzML SUBJECT_SAMPLE_FACTORS - 62 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-62_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-62_POS.mzML SUBJECT_SAMPLE_FACTORS - 63 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-63_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-63_POS.mzML SUBJECT_SAMPLE_FACTORS - 65 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-65_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-65_POS.mzML SUBJECT_SAMPLE_FACTORS - 66 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-66_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-66_POS.mzML SUBJECT_SAMPLE_FACTORS - 67 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-67_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-67_POS.mzML SUBJECT_SAMPLE_FACTORS - 68 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-68_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-68_POS.mzML SUBJECT_SAMPLE_FACTORS - 69 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-69_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-69_POS.mzML SUBJECT_SAMPLE_FACTORS - 70 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-70_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-70_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#8 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#8_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#8_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#8 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#8_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#8_POS.mzML SUBJECT_SAMPLE_FACTORS - 71 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-71_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-71_POS.mzML SUBJECT_SAMPLE_FACTORS - 72 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-72_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-72_POS.mzML SUBJECT_SAMPLE_FACTORS - 73 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-73_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-73_POS.mzML SUBJECT_SAMPLE_FACTORS - 74 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-74_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-74_POS.mzML SUBJECT_SAMPLE_FACTORS - 79 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-79_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-79_POS.mzML SUBJECT_SAMPLE_FACTORS - 80 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-80_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-80_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#9 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#9_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#9_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#9 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#9_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#9_POS.mzML SUBJECT_SAMPLE_FACTORS - 82 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-82_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-82_POS.mzML SUBJECT_SAMPLE_FACTORS - 83 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-83_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-83_POS.mzML SUBJECT_SAMPLE_FACTORS - 87 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-87_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-87_POS.mzML SUBJECT_SAMPLE_FACTORS - 88 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-88_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-88_POS.mzML SUBJECT_SAMPLE_FACTORS - 89 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-89_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-89_POS.mzML SUBJECT_SAMPLE_FACTORS - 90 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-90_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-90_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#10 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#10_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#10_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#10 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#10_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#10_POS.mzML #COLLECTION CO:COLLECTION_SUMMARY A blood sample was obtained in EDTA-containing vacutainers before 10AM to CO:COLLECTION_SUMMARY measure plasma metabolites. Vacutainers were inverted 8-10 times, spun at room CO:COLLECTION_SUMMARY for temperature for 10 minutes at 3,500 rpm, and the plasma layer was extracted CO:COLLECTION_SUMMARY for storage at −80°C until analysis. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY n/a #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Approximately 25 µL plasma were sent to the Northwest Metabolomics Research SP:SAMPLEPREP_SUMMARY Center at the University of Washington (Seattle, WA, USA) for performance of SP:SAMPLEPREP_SUMMARY targeted metabolomics. In brief, targeted liquid chromatography mass SP:SAMPLEPREP_SUMMARY spectrometry using a HILIC column to separate polar, aqueous metabolite analysis SP:SAMPLEPREP_SUMMARY was performed. The assay targets over 350 metabolites from more than 60 SP:SAMPLEPREP_SUMMARY metabolic pathways using a Sciex 6500+ platform and Aciex Analyst software for SP:SAMPLEPREP_SUMMARY peak integration. All mass spectrometry experiments also included blank samples SP:SAMPLEPREP_SUMMARY run under identical conditions to identify any signals arising from SP:SAMPLEPREP_SUMMARY solvents/reagents/buffers that may also affect batch-to-batch variation. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 10 µL for analysis using negative (NEG) ionization mode CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu Nexera XR LC-20AD CH:COLUMN_NAME Waters XBridge BEH Amide 2.5 um 2.1 x 150mm CH:SOLVENT_A 10 mM ammonium acetate in 95%H2O/ 3% acetonitrile/ 2% methanol + 0.2% acetic CH:SOLVENT_A acid CH:SOLVENT_B 10 mM ammonium acetate in 93%acetonitrile/ 5% H2O/ 2% methanol + 0.2% acetic CH:SOLVENT_B acid CH:FLOW_GRADIENT A (5-50%), B (50-95%) CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 45 C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The instrument is controlled by Analyst 1.7.2 software. Targeted data MS:MS_COMMENTS acquisition is performed in scheduled multiple-reaction-monitoring MS:MS_COMMENTS (scheduled-MRM) mode. We monitor 180 and 213 MRM transitions in POS and NEG MS:MS_COMMENTS mode, respectively (393 MRM transitions total corresponding to 361 metabolites MS:MS_COMMENTS and 32 stable isotope-labeled internal standards. The source and collision gas MS:MS_COMMENTS is N2 generated by a Peak Scientific Genius 1024 nitrogen generator (Peak MS:MS_COMMENTS Scientific Inc., North Billerica, MA). The ion source conditions in negative MS:MS_COMMENTS mode are: Curtain Gas (CUR) = 30 psi, Collision Gas (CAD) = 8 L/min, Ion Spray MS:MS_COMMENTS Voltage (IS) = - 4.0 KV, Temperature (TEM) = 425 °C, Ion Source Gas 1 (GS1) = MS:MS_COMMENTS 70 psi and Ion Source Gas 2 (GS2) = 80 psi. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ions counts per second MS_METABOLITE_DATA_START Samples QC(I)#1 QC(S)#1 1 2 3 4 5 6 7 8 10 QC(I)#2 QC(S)#2 11 13 15 16 17 18 20 QC(I)#3 QC(S)#3 21 22 23 24 25 26 27 29 QC(I)#4 QC(S)#4 31 32 34 35 36 37 38 39 40 QC(I)#5 QC(S)#5 41 42 43 46 48 49 50 QC(I)#6 QC(S)#6 53 54 55 56 57 58 60 QC(I)#7 QC(S)#7 61 62 63 65 66 67 68 69 70 QC(I)#8 QC(S)#8 71 72 73 74 79 80 QC(I)#9 QC(S)#9 82 83 87 88 89 90 QC(I)#10 QC(S)#10 Factors Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a 2-Pyrocatechuic acid 260053.3508 327048.1373 11399.98954 376326.4996 2261481.637 801301.7738 328909.6382 227646.2714 154273.104 224259.0433 721415.3451 299606.3849 347790.7478 208978.4181 404196.4789 73043.05001 95227.85882 511381.7375 1230423.928 267290.0895 232631.0388 349232.1495 25211.87 608963.2187 218754.285 293232.2009 325510.745 148999.0932 279698.2814 202216.6303 278427.7008 366942.0197 550803.7633 186464.2966 67597.84766 280211.5903 335520.0807 594891.9469 348712.1655 388176.0803 170277.0914 279539.708 332550.3909 542714.1637 255002.681 119377.4766 219392.48 193653.8814 176758.3814 305703.9506 272584.5936 323640.2673 604750.3177 156944.6375 502348.1089 675549.9517 197694.9242 235020.4453 572851.8338 267435.9194 314265.5724 363625.1914 1352242.655 355851.0859 101430.5599 1283002.391 465383.8439 78630.44242 14052.6648 271239.0779 291775.0453 364020.0187 129547.454 114453.0636 194310.7922 204810.6344 88172.76573 207816.6463 233143.1082 334808.9303 154892.3765 417015.8398 485998.0996 1249328.661 112481.4141 150526.0411 260274.9505 312213.8672 Phosphoglyceric Acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A alpha-Aminoadipic acid 93864.0574 61917.52839 85520.11749 85531.51405 132339.3587 103867.1887 85100.73182 38188.08672 111632.8013 53954.39887 46360.93484 95009.60562 79050.6214 88112.6448 55900.57251 73595.09141 124921.1421 79279.12956 102161.2753 47949.7625 94400.54193 75934.52319 93630.75477 108039.6679 99614.0322 139430.0335 27682.24943 116413.7614 68404.13924 42115.58575 94201.32988 81961.52292 101064.2383 59670.66489 72506.52983 34283.03166 60949.65793 49379.97387 114877.9092 105832.7646 138474.2973 87440.88404 82186.56938 76289.40987 35878.41286 69967.94876 110857.8436 99029.88334 60818.27856 84530.26783 87929.15736 76225.95007 98498.25338 164536.7041 113332.4864 98535.51193 58794.59344 28906.27315 65231.91354 82694.04798 64282.10078 69013.31563 107850.9303 89490.72288 121160.4689 45528.03822 181033.4443 33798.55503 79290.14221 41517.2264 84584.92162 80223.23298 75848.66323 88553.0649 84574.40726 157879.5126 67642.08599 77619.29618 83127.72602 74030.70274 31178.08379 86759.60351 107730.0733 61985.11094 50089.58337 187087.7155 90915.73317 76842.16883 2-Hydroxyglutaric acid 189829.2375 295622.9678 326055.0672 316888.5578 289958.7117 253928.2093 258713.787 263463.8004 239848.5098 331663.8537 339125.0239 191663.2549 299818.7035 336357.0832 418837.9755 169224.0218 217192.3361 225833.3765 298479.722 286616.8909 187291.112 280945.4895 288527.0776 260051.3942 256694.806 240104.5284 243007.7723 183959.257 259243.5108 251337.0555 189631.8763 275608.3777 300295.6007 227023.2757 227440.8878 370765.922 251986.1977 336768.1382 210641.5695 255719.9772 247763.6146 197673.3302 282040.7787 212842.4105 245413.1847 337260.432 288932.4721 301486.0858 248161.7649 295827.4993 183853.4756 272708.0146 237961.2065 246638.0819 269923.2011 237853.9632 247358.1757 251799.7003 240771.6694 178186.4889 272609.0138 277300.481 265659.6077 335179.7528 287018.2038 229828.4705 297989.1531 136290.4449 246649.5003 230931.6318 185082.1427 260722.511 275940.4059 271870.6418 306082.4534 230502.3602 229283.5122 286889.0451 180973.3589 255707.586 193118.9403 219677.3137 275875.4445 247589.8274 233498.2092 232047.4359 176112.1456 250564.7049 2-Hydroxyisobutyric acid 6328005.957 9147055.883 15925040.33 3039304.611 11407072.28 7154224.472 15060465.94 4782166.406 11878639.55 11644071.05 5118572.387 7145864.295 9584361.08 3327245.879 4779454.944 11607144.13 11258646.11 4649008.316 3739710.01 28708900.91 7134082.372 9972549.889 23078343.4 8815610.358 15211894.78 15555496.41 12321199.42 13619464.8 14929592.25 9106495.262 7171478.817 10519699.83 5529958.077 8751741.912 7708107.217 3748063.451 12648168.97 2795826.898 15796306.2 9403341.036 15793430.98 7394780.075 10262305.61 11532984.65 3146450.297 9368203.368 8910237.659 11990451.39 4366539.339 4581615.053 7446712.817 10304734.27 7822815.686 11359600.06 10576341.95 4175174.875 8647020.703 4452615.821 8432164.744 6851631.304 9720594.473 6855542.879 6109601.726 9978964.806 6925124.584 4437276.177 6250473.015 4773975.823 7354300.58 3048687.331 7452841.972 10358695.39 5189691.509 10652623.74 13226879.85 5428400.484 7457031.924 3097815.274 7132388.681 9836790.55 6536979.444 12173342.13 9102628.861 3533690.779 5050681.265 11123795.06 7186987.95 10381540.2 2-Hydroxy-3-methylbutyric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2-Hydroxyphenylacetic acid 45922.44318 82682.39829 20181.76627 50759.42446 55007.79121 185303.9889 118180.9295 43419.85199 74934.50176 52710.14498 35068.29746 46465.64818 81949.36132 104003.7197 31659.40558 142930.9557 67467.82448 49050.05639 149565.88 98035.29338 43482.10449 75866.88414 23153.54293 105481.9562 89428.49072 34262.59155 39902.61369 84199.58971 86502.79381 77702.96616 48943.01924 74191.67797 54404.20539 114477.9488 50482.10302 34201.41314 107133.0137 21172.57849 47380.87709 102404.9785 57963.6918 48548.06028 74907.07685 74343.03583 40000.8928 81968.85526 71522.62074 52982.92877 40784.40441 93374.2075 53055.82246 77942.93184 62554.68837 45637.89684 49960.41865 92390.71287 94392.74493 29936.33237 49540.11755 45859.69067 63332.21744 75885.42028 52101.7043 90120.08831 67543.74905 31432.15328 80128.10141 34357.11349 38976.05675 49918.52831 45532.68921 73538.66046 38603.47526 30883.22767 70836.67251 50499.97157 66817.39625 64869.23021 52312.97805 76543.48579 55918.17545 88969.62069 72421.5492 79750.51501 55012.48112 42586.05068 46526.37243 82132.47661 2-Isopropylmalic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2-Methylglutaric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3-Methyl pyruvic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Ketoleucine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Desaminotyrosine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3-Hydroxyphenylacetic acid 72195.16084 69834.59715 N/A 70258.08 58275.18255 61068.1453 60292.85384 46246.86114 41430.75223 37185.15577 39495.04189 70604.79533 68920.27644 63703.02804 33497.63548 60965.1946 72981.49854 43608.25231 71040.85999 227770.632 69199.10861 72848.24435 56267.08033 109084.3046 188724.8316 17960.29067 23309.3865 173730.2001 24140.2274 36549.75423 71887.69951 87993.01619 50700.03355 31240.98887 31182.74418 66796.68307 21782.98462 452675.8751 65631.19786 105384.8665 57001.43635 71559.11167 80559.80111 40344.24194 26478.71732 81365.16741 96249.61531 37407.3948 39776.47916 169609.808 77559.89334 79684.50473 41050.83942 63134.55027 41424.98588 172131.7965 35738.63153 N/A 62925.30795 71569.2495 73953.33656 29388.02037 54614.53798 111866.6868 27513.93456 55537.54687 109937.4252 N/A 31144.41834 24598.22761 76625.59997 81825.29536 43497.211 79301.6743 66006.14257 63244.72847 54502.90017 50221.95846 68095.54684 73365.30275 75524.5825 N/A 74532.3328 69043.25274 44252.78973 61444.08013 66459.02236 78884.6523 3R-Hydroxybutyric acid 4715236.063 24210892.88 157076627.7 3315549.825 12093915.22 2482890.282 5622044.564 17290510.48 16902381.25 31493631.01 2027763.947 4952731.525 24978380.33 2236607.135 25539480.36 10456596.1 10223324.5 2975354.188 3410529.282 93981651.69 4861227.489 25514107.74 80878715.12 37405209.17 20263815.71 19126566.87 45787305.66 15411247.02 16071804.78 26043533.52 4764204.593 27665503.64 1722081.918 23003167.24 6103424.158 3441539.425 2781151.071 19314839.48 7735311.497 18638031.3 75525806.7 4914854.137 26380937.42 12561265.95 2624195.916 12260325.54 11739158.59 6076755.373 3174996.647 35753155.52 4839763.023 25313115.09 5501938.457 5219040.836 4867649.241 2482839.169 21189224.31 8355245.317 25691273.5 4645447.936 23078907.36 3921373.954 8302271.145 6266401.984 2740885.063 3265021.14 2305101.252 6593835.849 6536748.048 2131812.575 5187053.092 25730617.77 4665858.497 19421374.6 17278512.27 3043264.889 9803826.364 1781926.481 4776440.98 24422369.71 3311515.45 13674094.71 3433612.344 5895244.352 4596594.171 16038000.36 4648916.692 24283729.4 3-Hydroxyanthranilic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A trans-p-Coumaric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3-Hydroxyisovaleric acid 803560.2151 1149818.41 3867682.242 957471.6822 1018191.587 876884.9945 1117295.526 678933.6186 1044351.056 870396.6934 1921100.69 833627.278 1181593.883 581493.0293 4984418.955 763269.2562 976847.2161 955750.507 715673.4001 1760490.851 845759.9473 1168277.961 1020646.357 1280487.651 1244708.008 1223644.155 952978.6845 1005540.563 957267.2015 806726.9202 871223.8425 1255167.188 936866.0048 787527.5789 963660.2986 669832.2418 478936.5881 1251873.243 881835.6146 1102555.304 1873873.403 857989.9866 1226012.177 1051493.519 567746.0226 1107615.296 1403672.922 1135583.086 1426957.419 826879.23 880754.1603 1228774.088 959081.9483 1229187.578 831434.5355 1180920.062 744358.4869 218354.2448 1059118.613 828573.6183 1220140.15 917161.7704 2438777.926 1493452.095 1013602.979 1197312.01 1005038.038 504798.434 827031.9613 736226.9882 892970.4936 1217464.469 514779.3502 884932.4717 1070745.416 930919.2584 829326.0533 549628.8561 798648.6532 1097808.234 840951.9839 876320.2793 1064969.388 1030555.008 652276.9268 1191731.942 835712.6039 1199449.85 Hydroxypropionic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Indoxyl sulfate 4290159.924 3235348.836 72817.92282 5465181.464 2605293.673 2722136.493 3045531.939 2391641.926 3246449.849 2018911.3 2319607.924 4283019.81 3245992.437 2613273.903 2451187.888 446787.223 4970998.556 2506898.426 5667684.852 4637170.245 4314149.445 3366316.665 4199231.03 2838469.833 8819012.9 749835.3234 72391.76077 3436475.039 296159.925 3459128.091 4675133.365 3437221.368 4791995.273 1396901.19 199322.2078 1513320.131 491722.2078 3557217.474 3567603.748 3547038.72 4536462.144 4295158.618 3204333.939 2778464.676 1975554.587 5325465.845 10993500.92 1891703.14 2369827.189 6939920.355 4241211.826 3186216.934 2223238.104 4939092.398 4054513.006 9628087.53 1379944.852 291954.4206 3517676.406 3966213.299 3206330.25 5244203.759 2185926.648 3339692.845 1474746.972 2980495.368 6134074.656 848891.9539 3072548.284 1370597.433 4159839.102 3324765.542 4890751.111 1063757.768 2695970.321 4178117.066 4651119.408 3003058.723 3792836.156 2937389.872 5203051.652 5649064.406 7659394.063 3551291.386 2208404.418 2828840.699 4095644.206 3084808.505 Isopropylmalic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3-Hydroxymethylglutaric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3-Sulfino-alanine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4-Hydroxy-3-Nitrophenylacetate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4-Hydroxybenzoic acid 1212122.024 3589235.257 195359.6149 30710827.43 1677473.592 276680.3635 59406.0307 79884.2874 192003.3233 162064.0813 144657.4869 1228895.825 3513356.397 115012.618 65218.24776 998370.1753 796564.2221 59488.19919 194280.2128 24046.90857 1282133.509 3230173.418 50469.39512 67917409.39 338379.4625 75443.42781 59405.05345 86073.40116 98068.9384 288978.5763 1356616.803 3737245.761 323176.368 118942.0608 151796.7262 1436612.99 39774.69255 63784.52013 2688399.76 46603.16682 582423.9611 1289012.439 3946053.406 128479.4548 149377.8171 2339273.359 49066.3711 165291.1889 83894.79781 14344372.77 1267424.109 3536728.852 341026.9605 79520.09415 254317.1943 97588.97695 111751.8128 740305.4523 62723.27651 1304984.949 3510099.387 629091.5824 3824643.275 21915256.32 394700.7152 214595.2294 403290.0969 84113.18849 500422.082 120675.3495 1394566.11 3331614.372 45514.7795 427167.1511 35100.73995 133614.0462 75622.85959 213341.3232 1148370.464 2897075.41 62638.01554 60228.43125 352863.1194 502643.4567 67291.60132 67888.24373 1224800.846 3612015.195 4-Pyridoxic acid 124565.41 193429.4028 30517.82897 114419.3375 97437.45219 186133.4534 75517.80792 234128.5692 76496.87204 106183.2809 123428.0735 142516.6953 196603.6693 89222.34275 57685.62765 99877.16277 169758.1768 133315.3743 97463.62614 120018.2057 138582.9714 184658.8507 121665.5054 131979.1549 48216.09167 140785.5063 194587.9663 217848.1663 49477.79332 121390.6819 131833.7762 164073.5002 93177.26097 119205.6474 127810.4613 64347.11665 560945.5196 21945.24636 94800.15595 952570.9663 119974.1296 140329.1275 173510.5744 131744.9089 149003.4216 1096654.385 51777.0188 107949.9455 78717.26552 228240.2992 142431.8222 184401.5022 97368.24918 122747.6155 514360.2488 165953.9034 107447.9228 68136.15832 405796.1713 123059.1387 166524.9615 224791.4436 193394.0197 235003.61 73472.0066 75935.63565 159813.5689 49986.79094 76644.63198 105337.059 147574.7842 178745.0402 104657.4553 84120.79568 103142.5462 569943.7809 88608.89111 412105.6236 115703.1128 169352.8754 80679.59803 103894.8334 52008.86102 228993.0695 117860.0163 98556.03663 136066.3114 169618.5513 5-Hydroxyindoleacetic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 5-Hydroxymethyl-2'-Deoxyuridine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Ribothymidine 109561.7863 117312.9021 85281.78593 130882.188 128040.2887 170354.7872 150818.0486 107060.9477 149011.2312 109763.8424 136449.184 109234.054 127035.8732 155949.063 114205.763 84923.97083 104687.0149 98270.1565 138603.4291 128354.8918 112992.8013 122327.2587 139202.1656 113064.96 117413.9312 127437.8743 100690.0156 119083.5573 120352.4756 115043.7292 115522.9756 128415.8652 163536.1899 116055.148 170272.6596 102387.3317 124530.0554 101358.1155 135405.4768 170275.6559 151549.6384 110336.5884 136322.1731 100733.3864 151523.0342 126161.9767 133380.0437 149230.0739 160656.6808 118244.012 118619.7835 132475.2042 106594.1188 130707.4838 139002.0549 155225.2821 119176.2263 120910.7132 147887.8974 110597.2474 123796.2882 145345.6891 125009.1838 119834.421 128365.4753 113909.1535 170206.0876 57089.66395 137674.5093 97122.76255 107407.886 126799.2571 121670.4845 103376.1412 107086.6366 105950.6214 97722.2812 146275.8377 111312.277 115596.3701 109508.8491 118389.7308 149203.1906 125187.9122 102278.518 111367.0387 105580.6639 121183.2785 6-Phosphogluconic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Acetylphosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Adenine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Adenylsuccinic acid 277895.1247 84772.89309 25808.53614 175187.7546 34091.9416 42175.15762 55778.75984 50851.29765 44542.43136 167683.4251 191025.1112 292093.7667 84968.96281 138048.0468 87138.36301 27980.15485 51245.13257 187893.1589 69181.52649 40978.83014 306448.3012 72522.61105 38002.53629 23053.9733 59724.81191 109992.5948 60697.40458 40793.99591 39796.23869 37052.09485 277140.484 83004.11373 100746.2642 31334.39312 69278.30565 62090.41481 41570.62959 59912.55074 138831.363 43954.53543 44539.78121 225011.9113 82219.22728 40782.20955 60132.84627 150266.8149 311160.9926 97982.71531 68986.7858 39041.62449 286089.2653 82387.93931 38624.18507 88121.64101 49864.21127 108044.1773 33697.21079 197302.8282 118096.5919 281174.1866 87348.62459 90686.4431 104320.8675 49066.289 68006.03864 62456.77735 94654.46375 26206.22829 21472.65513 49667.72499 274838.7612 76110.59561 113180.8734 98978.87642 93054.25081 40983.28722 158203.8148 174578.4959 257398.9207 70576.57075 44733.33441 31336.10131 40168.43034 69190.1503 50018.71734 41412.76276 261645.6998 78187.89769 Adipic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A ADP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Allantoin 156406.6907 128390.2785 59089.17828 92702.15334 169354.7234 94428.97461 124275.7031 100054.5619 93485.61229 102726.0865 185580.13 174155.7701 135640.8844 246067.763 183452.6285 22533.09299 145025.4192 220999.3745 254267.5345 217223.6882 168712.9238 142054.3277 102980.8976 169169.403 74931.48598 141414.2745 36942.85372 111399.681 41956.89962 97807.17005 172370.543 141565.2712 179944.3059 136636.1485 51869.32736 119137.1524 62325.33 157334.8363 166229.2308 142006.7549 154447.0288 171724.3591 147473.3487 117263.4494 159370.6489 123448.6341 227865.0485 270558.4406 109004.8798 166272.0287 166451.4654 145807.4809 117364.3872 44263.23995 102992.056 176406.4396 137085.6175 99822.46026 172805.3281 164976.1711 143226.4212 139488.7474 118484.9857 201493.3294 111548.1352 164594.3423 173094.9594 37821.65676 66948.89472 91507.87082 168468.0953 139281.0636 128234.7397 179013.334 54066.67182 169325.8508 133733.8721 149722.2339 162417.3315 132293.9626 111608.7391 118800.4764 189334.6122 166975.8646 89165.80803 122525.1164 159553.9875 133667.7201 Allopurinol N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2-Oxoglutaric acid 264481.8833 257584.6224 228426.1189 147511.4301 251041.3417 198136.8042 385312.9091 237083.3827 219926.2554 249669.3528 138435.5088 330507.3341 232329.0018 118387.4588 341197.5618 189905.1459 445541.3622 164088.4263 226564.7664 530534.1799 265347.3704 255715.664 257042.5668 379847.7319 389618.6641 311628.979 281965.5905 365946.3846 228774.2276 172956.4151 250964.4408 211690.4088 216237.8632 127491.3237 200199.0549 203625.3556 260788.9572 358548.71 144582.9272 156951.4594 289682.1143 247484.2263 251039.5108 118783.2716 179534.9308 253208.4029 190774.5264 247711.4847 183573.9768 101228.127 242476.1796 182978.3118 231506.1087 222723.9785 227218.6633 132914.8788 88644.02365 105534.1965 134552.5117 281052.2702 250350.4517 299795 161443.5652 418723.4534 205756.5195 192452.206 216644.2562 48616.32882 277032.836 136997.7282 293738.4951 193369.8716 188941.421 543353.0892 205254.9568 289439.9612 99472.93282 119192.1469 255709.6036 158169.7346 114987.0278 141926.6408 281467.6719 145617.1946 159954.2908 238812.6238 215677.3998 182903.62 Phenylglyoxylic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A alpha-Tocopherol 6692.973686 7956.996334 4868.364776 12126.61967 9696.488438 15624.22549 6823.48114 10474.58457 9593.889453 8083.871722 7394.191472 8065.17888 9441.24321 11597.29124 7784.850041 11084.47292 7527.086209 9807.471923 8852.791208 4232.269938 7858.546448 8141.793556 10410.56336 5812.896027 9174.030761 11464.23559 13885.6213 7881.240223 9451.888422 11955.14557 6822.380611 9298.544866 5146.521614 8311.227372 10887.202 9721.611007 16216.71373 10645.14097 8909.425493 10731.57314 11555.65595 8307.848618 11058.48189 5085.012952 14395.39252 13931.6626 10513.72633 9396.429659 7261.024591 11658.12264 8165.019893 9657.163477 6482.886207 11072.64153 13739.39257 11747.16171 5854.260402 7110.517504 11744.6215 7932.041969 7530.528697 8729.622788 10259.4689 5757.12854 4843.270175 7968.851072 8062.143012 4199.778543 3995.10407 8959.897507 7748.408856 8872.138366 8871.017412 1720.221385 8707.529839 7094.544824 6418.550628 8012.06359 6718.868225 8451.091898 4156.499543 9915.769151 5301.907165 5919.835594 11826.28347 7514.882171 7164.689191 7587.630286 AMP N/A 520779.782 378522.5295 3673697.929 209255.9497 366545.3641 353710.1251 484765.8138 262682.9446 665765.8393 1176938.46 N/A 433168.5423 856974.5622 405067.4667 116952.2859 207766.2214 801161.3065 307753.9308 366190.1262 N/A 411520.5558 167020.8884 108150.4975 188139.9732 836685.846 215778.0285 503846.715 88784.46622 130005.943 N/A 408972.8504 293971.5095 249602.9209 357105.1554 185526.7193 196105.9963 180122.9908 728652.2906 147482.1777 261299.2197 N/A 406235.5531 163994.6922 245155.1524 655845.2325 907620.0016 377429.5176 286591.1992 101137.4063 N/A 391875.2839 155074.0633 254188.9718 164927.7167 429006.4774 269655.8333 604865.1546 683858.202 N/A 403671.8467 361709.5327 889360.8115 240930.9723 194182.9516 307692.2197 687365.1861 160595.1854 204641.9462 650363.1075 N/A 394704.6711 624873.9374 424521.6356 831399.4136 182789.256 724127.2444 787716.3971 N/A 396158.4405 244124.6604 232765.2581 200301.7521 332655.3269 151116.2424 142362.6075 N/A 382936.442 2-Aminobenzoic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Arabitol 177385.2967 248555.1519 237925.7491 183302.9776 201963.6118 517034.112 239253.4398 216528.1432 183283.5242 218245.8732 279510.7029 176111.5486 244326.4384 207150.2629 219314.6473 182238.344 260936.9944 244577.8069 286570.7895 424871.6261 181442.0147 264839.5113 122880.7358 358471.6961 146088.4577 242034.3088 234910.2187 227790.5769 199737.5302 211334.6825 187324.937 271693.7966 274112.3991 425947.3436 268648.0773 337242.3938 297686.112 215359.1913 223181.4787 289314.6494 244835.6912 198325.0671 259008.5459 143829.0843 225835.6888 278728.6329 237637.1767 176169.731 232961.1987 315925.358 194916.4965 238153.9689 241261.0735 168902.93 174924.9954 283100.7941 421857.1331 227301.2613 262023.8568 183463.3207 251127.7384 212961.8586 278185.7652 329047.2464 227885.7512 237269.8106 291882.1772 151296.5105 231349.4443 154254.6412 186693.0029 237722.9868 236618.9174 256600.4922 369974.2727 239544.635 187226.1678 355057.8113 178182.1681 243069.0995 241865.9537 158289.4508 201019.3844 263435.807 245739.0057 145101.0608 178063.8228 246390.591 Arachidonic acid 1758639.202 941698.4029 989557.4968 589261.5274 1080256.549 922691.7928 1169722.594 448876.6118 1199144.745 1256756.777 1295988.196 1881187.265 952726.6812 900206.6448 1380174.852 1234807.913 992111.0614 863738.8655 639145.9729 1246147.365 1737364.714 950360.6369 972848.5538 638524.7403 1154775.82 1473362.533 2435593.846 883123.6367 797456.3008 506807.4198 1780417.974 949646.6232 372131.5508 859871.0097 1050019.065 481411.7374 578037.6285 1425314.15 1327375.278 689261.8731 1127041.074 1939131.313 948843.9708 688629.209 565863.5275 1380017.666 1375081.222 1004016.744 591150.9033 551202.1577 1830705.559 892682.1941 673861.5339 814397.5126 660737.9604 698491.1181 830080.8849 1138099.914 1315727.486 1996471.884 932892.2477 488272.5436 895570.0056 842367.3671 707001.0629 863025.7961 776759.1143 299083.4739 525877.0715 381952.1475 1790835.987 930294.3666 661840.4145 1383717.52 883864.4279 779727.9618 715538.5766 694745.7881 1939458.91 781746.0334 313305.6929 984133.2866 625668.3045 525148.5239 388232.8759 865601.7633 1901904.486 967793.4038 Vitamin C N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A ATP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Azelaic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Muricholic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Biotin N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A "3',5' cyclic GMP" N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Chenodeoxycholic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cholesterol sulfate 1442265.413 1974377.933 695050.2234 1250153.31 1728116.415 1065690.827 1877698.803 756571.3103 1846691.324 1710647.97 2079647.532 1557427.109 1794081.524 736348.1274 2323658.203 3050536.195 1734596.253 965399.2341 1499427.355 1939208.548 1330840.749 1904815.149 3061223.376 2551150.208 4203525.046 1383085.962 4133065.658 1024071.825 2044421.73 1780055.336 1493396.286 1783665.504 570508.0263 973945.8182 1766940.774 1458724.317 707251.1336 4185880.446 2048190.793 1118259.367 1862593.574 1248204.148 1682687.179 1036188.879 1238788.485 2122855.123 3020646.903 1979127.307 2237825.702 1473476.162 1583344.594 1836062.638 1051875.012 2408777.761 2741427.737 1882679.727 1276323.787 1326325.947 2895237.717 1285842.524 1849478.225 723948.7097 1678949.82 1434525.031 1175656.535 2033983.994 681153.3291 898602.4711 959183.8925 428089.3128 1418081.317 1869957.031 1062475.072 1213090.258 1565848.374 1137283.996 824739.3028 567748.0927 1320630.227 1532059.069 647326.2001 1448308.054 1120673.935 962789.278 1607266.915 2228475.984 1302100.661 1630312.308 Cholic acid 6928.117668 5772.151011 N/A 10767.13289 N/A N/A N/A 2803.677686 N/A N/A N/A 7522.956782 6160.8626 4055.496338 3739.137044 N/A N/A 3268.413342 55502.37306 11903.02126 7266.829375 5427.710151 5269.653905 N/A 10432.14947 N/A 7284.356934 21467.06728 N/A N/A 6800.207492 5677.416863 17660.91264 N/A N/A 9370.045891 N/A 15764.23887 N/A N/A 8718.976968 6501.915888 4889.400995 6365.505572 15427.59406 N/A N/A 2048.040721 N/A 9833.386174 7493.785841 4109.451695 3874.678569 4325.160832 2097.511871 5764.312791 N/A N/A 2673.091676 6381.213573 4751.552826 N/A N/A N/A 1966.114236 N/A N/A N/A 4474.708471 3625.599962 7301.398984 5411.014248 7730.669931 N/A N/A N/A 3826.942277 N/A 6195.688221 4726.777675 N/A N/A N/A 2643.335879 N/A 2836.023946 7259.656616 4979.262383 cis-Aconitic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Citraconic acid 120462.5893 104695.087 72473.60082 38155.2197 81586.52508 88468.72449 54929.90513 63495.38149 74449.95323 78863.38267 80371.07684 95956.37539 93042.09466 170066.2504 98614.21321 32881.28337 162204.8719 56074.87597 80779.12779 80123.57984 105140.2544 97369.30694 108430.1996 63885.82161 75410.27444 74457.59955 58985.83717 71946.14205 73100.39013 55940.99849 103690.3545 107508.4581 72927.44109 52601.83698 77203.81303 92143.96626 187488.724 47551.31226 98238.83846 70842.10989 97648.64072 95671.88507 101550.0483 65008.92948 52289.92735 60081.56846 86867.8126 102728.1134 114543.8822 26557.22602 110946.6601 107122.3155 71302.51608 76276.59174 88996.66762 82068.00368 69599.97726 30951.7124 54536.53865 99360.26039 94175.19026 78455.29017 73733.9855 84351.97609 96604.8251 70154.6191 77504.54422 71520.94647 84920.00519 87434.88959 111466.9049 107859.3382 66097.90353 59273.33707 69812.14182 83243.08167 45422.94113 63920.88958 99685.86595 91667.64177 59461.05168 74393.64177 77857.00885 72412.96336 40789.26447 85818.73276 103003.7114 96417.50091 Citramalic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Citric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Citrulline 7369214.027 8620966.663 4614184.827 9253135.167 11247991.78 6496821.732 10005685.99 10428755.68 7580431.321 8473253.307 8310952.775 7470284.327 9456017.193 12417126.62 12048601.8 5094987.598 2589710.631 7810863.997 14241481.34 11766718.29 6726335.452 9121309.585 6031433.963 5792470.575 2316342.102 12057558.94 4775752.662 6387711.372 4994795.406 10684625.57 8026283.73 9150061.244 11387296.7 9304013.034 7756262.62 8438985.079 5995138.392 9457706.442 7666862.659 12156094.36 9893155.006 7444179.327 9305771.404 9889518.513 11784718.76 13706904.47 17151437.57 8775827.334 11412824.14 12883789.13 7578475.325 8805018.293 9218438.748 7384484.169 10722140.34 17372511.98 9506437.617 3320002.012 12606170.42 7211757.277 8655850.461 8803210.486 11286689.48 15324241.27 6552053.28 8821566.123 13297217.32 5106904.584 7154320.849 5743837.429 7419171.545 8553820.995 6365326.535 11444809.37 7212968.911 10661525.27 8965674.15 14358028.85 6565358.05 8056329.228 7862375.526 8360121.596 6115841.836 11149770.12 8423340.067 11248631.4 6904612.061 8800047.806 CMP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cortisol 8438.57976 9926.625323 6318.043093 8905.8356 15426.48125 9447.455665 11667.18263 9761.215933 12513.92412 12224.68622 12650.00532 7304.120734 7166.346358 7070.114542 15457.3405 3678.045323 5067.713032 11568.5539 6322.688152 9621.883853 10947.48704 11169.53149 8053.354069 5620.332728 3781.520447 7517.103369 24871.96699 6083.855506 18553.98228 8003.823632 8985.03046 8150.186998 9039.093228 18651.07904 11335.07991 15487.77422 13552.38165 10297.67093 10776.56779 4682.866432 8776.559609 9996.223931 10204.48574 10664.45792 11816.73478 4662.902864 13143.55797 8182.273116 6547.134647 11597.7069 8927.213956 9560.596926 9828.482908 6870.762024 8773.602592 9979.219401 15236.66435 6768.085708 16908.34714 8708.973393 6695.168271 262.7548008 10654.65383 1134.057652 12445.01938 9864.616713 9499.254563 2735.306371 17715.96789 7632.04119 7051.209793 8975.348727 8763.174528 10828.97179 5218.482953 6459.339496 12212.06985 7258.894764 8839.976253 8180.732409 4427.866436 7005.27714 9490.49567 5020.177362 5166.510251 9062.993104 8070.582609 8504.295419 CTP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cystathionine 26466.13149 19347.39357 12229.72372 26283.16249 18030.11073 22347.8093 18863.04514 13448.74615 18034.78548 33098.9804 21180.86215 23298.4567 20896.73424 36710.8015 10542.72468 14045.73842 31877.49128 11398.66546 29572.35856 11438.87017 20257.61398 21875.62995 13821.77398 14439.16142 18954.35852 21518.1433 157.8183011 26585.53771 18398.10826 10738.53103 20164.19811 19442.04462 27688.5899 21473.01259 13759.50112 11290.24523 8207.016238 8574.59127 25758.44044 14008.2561 17853.36717 21543.8682 22141.13826 21286.73432 16703.33277 19272.63726 41887.0438 21446.1015 17282.5564 40406.3143 19254.86187 16633.34284 73914.72369 18201.87972 14427.4582 13717.50232 20516.46307 14521.48875 19022.36081 17737.92532 16460.73917 17446.36231 9589.496083 18656.26671 14826.72069 12582.87447 22173.02322 9087.383699 10297.09956 9069.654567 21424.43101 17514.67092 20651.74479 8915.410662 22098.28157 20375.99178 12987.24743 16834.34177 18051.65637 16939.36339 14361.43484 11411.55781 17929.68999 18262.03067 11006.23743 21916.16777 18649.76659 14418.41696 Cysteine-S-sulfate N/A 185202.4185 173682.3482 550292.5324 224064.9837 235249.5458 333341.6454 505127.7625 155455.316 227788.7001 181969.7932 N/A 198085.5586 148996.1703 211386.2056 194767.701 227321.79 188632.8974 147302.1887 190476.9788 N/A 187629.4051 268549.2647 115355.5971 155420.4418 176737.8527 30051.9779 313069.2264 34182.66943 91103.0635 N/A 207938.4077 152875.1016 226988.9527 189377.9516 38620.47046 149549.9639 48799.59141 114410.8851 138884.3095 327253.0974 N/A 195641.1452 347278.4053 447424.5725 268435.9092 195227.5864 159125.9295 256342.246 409909.5728 N/A 189624.8667 152734.5782 65737.31114 94337.20807 124084.8845 199070.6057 188818.4598 289364.4744 N/A 186589.1148 437569.4528 199326.0629 194433.9712 108331.0283 388791.6776 141836.7234 86310.79731 534452.8074 564333.5284 N/A 179259.6516 98220.54304 70564.19818 146608.5831 159719.8434 167565.3042 208723.4714 N/A 174153.1094 149684.2667 143335.2736 147750.4368 124210.9333 139210.8955 121596.8742 N/A 168053.5836 dATP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A dCDP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A dCMP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A dCTP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Deoxycholic acid 33859.92678 23909.26464 N/A 67402.1393 13294.49526 N/A 19565.95098 44535.6155 2713.905108 20410.5126 6748.163651 36453.95893 26097.4256 32065.02485 89131.91985 N/A 34745.89049 49306.90124 48851.95952 34535.74496 35531.56234 27354.31915 13740.42642 5372.189229 81800.07737 14502.06564 4048.283022 40486.72729 N/A 17888.20598 36608.19865 27886.65146 19848.56985 2792.360814 N/A 25255.94518 N/A 49553.14365 11607.49409 7195.133722 20964.80217 31532.96471 24722.56098 12983.79286 49287.60203 14377.12182 90401.14101 30378.82906 17529.57934 15507.62538 35144.08922 24884.48751 20316.43305 104648.8179 N/A 150743.7543 2231.439437 N/A 35104.27276 31091.92897 24642.69643 43878.50869 9802.771342 10724.95904 N/A 29956.45435 39441.57642 5373.926651 247696.7167 60129.97781 35653.3094 23985.12651 36155.22831 N/A 6519.945258 67535.14481 65961.60774 N/A 27596.77259 21997.10887 8058.740367 34494.19661 14175.98152 31204.47272 8247.6751 41671.11637 35835.22025 26875.66691 Dihydroxyacetone phosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A D-Leucic acid 475322.628 474887.8064 521317.4813 392285.6785 553579.2692 328926.8267 738975.3438 450234.0676 403490.6098 578933.3744 471400.3648 563787.5191 502989.3206 347440.7762 590040.897 510253.3364 483153.4066 573173.2111 322836.4828 1399498.442 527508.1753 543395.8855 665512.1731 333012.799 1031825.779 632137.7392 305737.7716 448737.5714 436638.404 674786.5303 562081.1615 495147.9923 432536.5924 340303.1414 401196.2178 359858.2218 323043.4358 458753.6361 626114.5328 255787.2832 658985.674 554901.2678 522532.8338 660092.7337 262095.4256 475914.5599 1596598.312 604445.982 421564.8688 576807.0416 548366.0933 538776.0162 404704.8445 551271.0774 371445.6281 467328.4518 295227.8949 175631.6693 338478.1399 525864.5218 496833.9348 480490.974 456533.5258 543580.1609 533864.0757 357415.3671 581177.4891 1108684.718 374385.0139 593423.3622 592130.448 536878.8412 411717.1822 407098.3145 395100.6704 335810.1942 328602.4561 314208.1857 485292.0033 527701.7187 250196.9531 426984.4192 424262.0978 324803.8188 236501.6329 800444.7308 541893.6309 499677.7771 Dopamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A dTMP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A dUMP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A dUTP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Erythronic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Erythrose N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Erythrose 4-phosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Ethylmalonic acid 135529.4658 199073.9298 84874.4161 175931.027 186794.7848 233695.7624 219173.5557 198259.453 189131.7476 232523.6131 156024.1311 121350.9446 206772.3854 246701.311 112102.4895 149598.7777 176654.9352 138292.6329 141799.0749 278270.1046 127012.5798 198044.3305 97272.89076 195797.746 136230.1153 239080.6606 149009.592 268124.1583 98816.97545 132333.3181 135746.9777 199231.8531 212986.6802 162412.0166 160857.3993 199913.6504 177390.4167 180895.1165 191536.8022 290727.6254 289665.8799 131199.4594 196241.6291 116463.6638 119761.1748 198965.749 324292.0437 166468.7749 170254.4101 231701.4752 114942.4803 178628.4617 206094.4552 540007.2457 206741.4066 232816.0361 171423.8475 175014.6373 214872.1956 114795.8294 188664.2879 177129.8651 189181.6857 174168.1813 123796.8093 172337.9205 365781.106 73009.71608 161941.8 125410.5074 112959.6055 185840.6642 218706.2524 102284.2344 222773.3768 182461.7356 206180.5893 262539.2841 127887.6154 183653.6518 85874.91557 140687.5499 121966.9292 123704.4906 159668.4863 103187.838 126157.2717 162551.8453 "Fructose 1,6-bisphosphate" N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Fructose 68122.32589 85823.37718 101306.5393 76403.67917 118814.0225 122518.0672 81496.37999 88571.0738 86981.10879 67202.23896 57763.82987 65873.15984 83922.38982 81339.94615 58393.08897 83702.86537 105871.5495 150867.7997 84149.02513 64980.33355 71685.81555 84615.33885 136564.0948 113158.3205 52643.87651 105710.2941 58924.12404 82663.13661 109785.5057 60579.04423 55242.61183 80333.59453 76871.07825 95935.47196 99258.12847 65673.36568 106221.611 71847.99732 46192.28907 109352.9502 68305.13401 63263.84667 83766.09805 70424.15649 79048.81021 38396.45873 66437.33264 52585.74866 47918.32867 142172.0996 63185.28918 74106.37266 53261.30085 140258.3179 50736.71574 54904.21345 83238.06101 94011.38775 108805.9063 54517.81151 75511.86259 70396.80726 62554.34459 42526.28517 67145.34345 52216.50285 72130.9117 32136.68485 66510.84403 74839.2297 66072.56724 77251.17597 99157.3583 32516.29356 198095.5291 47073.22861 68588.51253 87088.54596 61363.17263 61471.32828 74913.00155 57340.04135 80585.1334 84545.95909 44297.46253 76265.00481 56039.12495 72130.74042 Fumaric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Glucose 1-phosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Glucose 6-phosphate 24888.33386 62740.9801 27138.79566 759807.5936 37218.08207 44801.23032 44359.6874 43652.38746 30477.49213 67203.35432 218828.2734 26497.92641 73936.78971 197934.2734 42475.12514 23567.97114 37873.13273 196591.6442 52027.69036 37921.93273 26232.40592 77822.77021 29180.40589 41607.25175 35361.21005 152609.1867 34892.09243 51278.43188 51886.01288 22929.18016 23206.16121 75802.76148 33572.80708 55813.40846 177648.4587 33110.08626 53315.35509 37470.40966 151080.9947 34395.15697 38917.87566 26024.79629 75081.23277 28348.22901 47787.99612 87483.98568 131892.4698 52388.71518 54576.89696 39167.53878 21600.91124 73077.42201 31066.71876 90820.68425 34914.14512 112233.2336 62560.00602 147052.7888 110737.6164 22354.37804 65740.35013 34888.79902 103749.7796 42875.27073 36887.91842 55661.57669 96984.18589 16623.96771 31731.73931 46250.01263 25505.95467 76365.1222 167658.3808 81963.5845 132770.3866 35698.27441 205798.8067 200325.1665 25459.11268 69412.91381 44874.94078 24132.80019 51817.25866 44654.18967 46819.78254 37527.32037 24858.68681 75365.59154 gamma-Aminobutyric acid 46045.88911 11824.199 8162.109489 14380.03259 17220.17198 9596.661218 19870.83539 7975.788082 15123.06894 17353.15664 9009.00704 43301.97862 13482.78595 13850.70244 8447.737786 5581.837281 12414.46933 12945.44474 11525.2376 12788.892 42709.31182 13874.68489 12799.62627 35457.17711 21643.95076 21539.63661 9419.132767 22082.04479 15112.75399 7298.555237 42012.9106 13673.98398 15191.44089 10214.432 12335.48346 8171.181802 11463.2551 6969.153809 17387.4745 26953.24372 14217.61278 46354.56899 15801.60836 11535.63561 4321.330109 9078.005793 28707.45171 13154.04691 12078.13794 16523.78367 41611.43013 14562.45304 21577.38305 11379.60558 18483.31275 16946.21395 11110.63991 10754.76224 13348.07604 40627.34489 12723.89271 11627.75421 16769.86591 15971.37946 11720.22711 10571.77591 22011.47019 7021.93189 13757.5751 7199.621557 44762.50145 14560.04031 17664.63412 32639.04867 25043.20611 17841.94092 17602.79081 14852.55474 43199.46893 14048.1495 8749.226514 9186.12883 23848.20514 11084.97197 14124.42353 14836.52115 43562.28732 14682.93172 gamma-Tocopherol N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GDP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Gentisic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Geranyl diphosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Gibberellin A3 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Glucuronic acid 84534.21263 71277.54528 40874.98101 116843.4239 88825.56242 189604.64 106560.4336 85844.10102 60759.03609 72299.17565 83753.53642 101832.1 97685.5563 130054.4481 58341.17573 84017.68778 91788.12166 67111.30693 108264.2167 101243.9648 93784.69056 101387.0978 76766.58615 222227.3816 149498.6095 84452.69184 73818.4167 70637.21697 94449.79681 59758.96936 91629.92769 88131.87823 94459.91631 177008.1999 170754.3534 82258.26314 114950.581 62470.38454 87172.73066 115663.5043 97920.87486 87696.9859 112410.1202 57470.86853 78566.22493 212417.7032 115764.1942 85599.29962 129962.929 158284.4647 99394.58419 97478.86185 62149.19635 81191.1747 73491.50033 92007.57568 191492.2534 105246.1195 108683.6175 92663.43874 72005.20887 97194.84248 116341.7848 176399.7162 60966.19308 83560.91478 97762.55826 43367.90722 57054.70159 55476.79185 98989.01505 99821.03711 101031.2343 112671.1365 187101.7633 67140.39073 171917.8506 103739.3861 87116.49003 90448.6158 88750.79332 67225.2069 90408.68576 101693.7702 91109.23838 82353.39417 94335.79182 102902.0562 Glucosamine 6-phosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Glucose 14567444.22 17249719.65 14415301.94 14295455.28 21154550.95 27608985.16 18629603.69 16244410.38 16335550.51 15083640.63 16360187.92 13778636.64 19109398.62 14623548.05 17855132.4 20124243.19 20172331.2 24111772.87 17794677.96 12303380.17 14392755.06 19016066.12 16546137.42 17279294.12 13602154.29 23504564.69 15858911.19 17992404.84 26054554.27 18854088.26 12626700.71 17858540.82 17202679.67 24242988.71 14974183.14 15006597.6 24902844.77 17469842.38 17653182.53 17805368.03 12441240.65 15115843.89 18722678.04 12306356.11 16403098.62 13598207.69 17377363.48 17479409 13719641.2 19214281.56 13112648.18 17140866.7 15563680.26 18610417.13 18289097.4 15904101.2 24523885.54 12813036.85 24350013.4 13063879.87 16185165.29 14042184.18 14595960.99 17827171.4 16645880.32 16741785.46 16723652.12 8020956.332 17095012.88 14335486.21 13981994 16456563.33 16867372.29 19031672.78 26392343.4 14135403.23 12100353.21 17298736.89 12786991.72 15420655.51 15519283.27 11428821.08 24630558.71 13984786.59 15215978.67 15027420.3 13412316.52 17048852.98 Glutaric acid 63866.59089 69308.95297 13740.1905 30191.79603 12416.88606 12693.26198 12208.33588 9665.447929 12839.74697 12253.90034 28499.79855 64869.80916 65469.95494 14305.94228 15326.77072 20385.14685 31552.0624 8806.872076 9984.279824 244197.4923 63590.18105 71081.78382 19269.37829 18394.67994 19385.24608 16260.14063 20630.12765 49802.23411 19997.15409 9694.87602 67022.69699 71436.10423 11097.45829 8879.719731 15905.36076 15258.2008 13723.64176 146594.4681 14727.39279 11667.9053 16557.59579 77069.25512 65873.60701 7303.536228 14541.35736 17566.55612 35691.74101 18408.62746 6726.405317 18303.46419 65793.68536 63144.52191 13473.60353 32721.08076 27030.2188 40533.4064 7631.192558 19426.11581 12088.81984 67207.49389 71449.61815 18584.61445 10784.53145 26257.02839 10566.0782 12053.96035 19300.39552 9270.685925 13398.52405 10211.78758 65633.0486 64893.64776 10692.07954 21842.0003 26875.03714 9641.432821 8632.856068 11669.52652 66994.208 62395.94908 24791.40963 11334.31326 31255.93835 10120.22415 12049.94258 17111.42111 71652.66307 65097.88412 Glyceraldehyde 631746.8798 921468.8462 732116.7009 696729.9467 974595.772 1198816.861 1001012.357 761535.7608 842093.6922 720897.3559 707556.7026 634770.7707 850578.0054 702896.8464 805255.9607 947996.7859 977439.1142 1116239.152 812067.5145 585129.5108 664427.8556 914939.9183 820946.8292 748055.8176 647771.6641 1117118.604 720888.0401 805829.44 1316572.884 899226.3365 646311.3428 882084.9409 829013.6284 1199380.634 716250.0184 740691.2566 1143706.061 845682.6564 850397.6077 794770.7832 656719.3836 665467.7775 915972.7687 619721.4404 736872.7892 698832.8498 812836.7696 812281.4249 654822.7111 908103.5161 641416.4442 881581.196 767795.9346 876863.3869 894151.0179 792586.3682 1059971.306 602626.0004 1087121.473 659704.7629 793210.2269 734790.7483 692965.3703 856473.7937 819251.2861 866474 833123.7884 423489.4709 877550.3893 654570.1011 671496.6075 856034.7296 832999.3264 862229.7339 1226186.49 700957.7208 585363.2568 824651.2544 608074.5433 721608.751 756899.8216 556107.1425 1157082.834 663735.9615 735782.0769 766526.8501 633074.2054 783969.3453 Glyceric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A sn-Glycero-3-phosphate 309964.6457 164225.1194 161082.644 114498.3255 182883.4564 198608.0858 156461.4463 183592.1457 184563.1173 89599.37515 54266.79215 321340.9577 175097.6273 47961.32964 121334.9464 124748.0012 163625.3489 51753.53472 174351.3875 349221.7577 327868.5258 155656.2975 150997.3075 132546.0805 269266.6716 61159.19395 197672.9179 317811.5439 128874.7101 125130.3289 341414.5542 155322.4989 136193.2225 225171.251 166759.929 185384.6444 197403.3337 249916.6069 99496.10509 190179.262 204401.393 337974.2108 154528.8582 156460.4103 136521.7711 120399.5138 25617.36794 163273.6241 156539.7946 200515.9718 319617.4347 158329.3945 168111.1387 155037.8884 219297.0739 159393.8485 241948.8003 65041.47338 52111.83656 311435.5705 163798.9863 99852.11678 76090.82092 259714.1135 266079.7645 202839.6955 194174.3933 74976.64374 103868.1437 185209.5024 322002.5618 145761.2216 64190.03318 13879.25954 93434.07759 146932.8529 18008.47163 37770.97123 281279.3518 142255.9314 98110.88331 125569.1109 240713.4797 90776.69952 246911.0814 197049.6377 298731.9329 142402.0568 Glycochenodeoxycholic acid 296545.4862 125171.7941 5885.63801 56206.94274 146197.4922 11416.04246 100453.9388 43765.17177 89338.34246 16434.1015 25704.12636 282160.3444 113822.943 73882.28587 742193.8971 10362.29391 203830.0404 207497.5004 161870.1257 418564.8629 281163.5089 118290.1952 68200.57821 12693.47448 318278.2346 34028.25717 95906.99459 146148.6171 29788.46325 75243.10326 264978.4564 121598.8665 38178.95949 4601.73562 41131.67326 310521.7169 4180.993665 1279297.628 196283.7798 38593.12408 40552.24853 272099.5497 123142.6857 28668.00296 132134.1294 22810.86256 162767.4898 69321.18479 59427.55161 14611.26039 278494.5824 125890.894 96632.31444 54954.31843 46775.6574 395016.3023 4429.888879 36148.79449 189250.4107 264679.0581 111919.446 115014.4394 152958.74 161131.0441 46170.53459 182131.001 18425.88194 10961.66573 151942.9257 46212.24287 265097.5446 106252.0662 128530.2251 27000.73504 8557.545065 87986.88237 44155.88951 55310.77609 249970.6284 110306.0087 58355.33599 134977.7081 73271.52934 94108.18554 14034.74046 134788.6393 265466.6381 113924.7095 Glycocholic acid 34752.75329 13245.58115 N/A 6170.284601 25463.83165 4475.614126 19356.78319 13634.63234 9536.387073 6041.350045 4616.519177 40274.85627 14501.90032 12304.37069 79463.39423 N/A 34136.56905 30308.36955 15945.54792 42781.32051 34600.85446 17103.18394 12778.8621 N/A 42547.56639 2701.202778 10782.66363 27208.67279 N/A 7844.598545 36481.9574 16094.60654 6539.753162 N/A 6563.17782 51026.32147 N/A 125711.0865 10235.27108 N/A 10753.44822 38090.21997 15706.95389 4788.13778 8275.977341 N/A 10997.3044 8347.785342 15615.36125 12083.34764 33480.35986 14432.66124 11348.20505 16846.85192 3777.880051 15124.04721 N/A N/A 24068.32946 39204.31973 15069.51752 27061.80665 10093.84926 28017.1828 5369.900141 60258.42084 4320.800018 N/A 8070.163604 18284.45083 39468.34885 15026.72684 30183.1171 N/A N/A 7707.87807 6411.261059 4045.55366 35298.50552 14751.56374 6767.2067 11736.13234 13734.11286 11791.34416 N/A 25182.98316 31612.97304 17972.4958 Glycolic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GTP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Guanidoacetic acid 125265.7777 132953.9994 77221.80656 120506.8612 155275.8018 88993.37014 128043.2682 105980.1639 155584.7246 131498.368 113019.585 130082.6307 131654.3266 215598.3341 186734.3914 95839.79103 132324.4668 168204.8716 210613.6489 109717.3207 135776.3703 130981.7549 83607.07705 102359.1404 82367.96567 161011.3144 137810.3828 80130.84441 181621.6031 171145.9843 143402.8049 126537.1886 158186.8555 81411.12693 193384.2509 128076.0227 152795.855 220140.0147 148149.6891 80039.67819 173085.5444 140176.6321 145537.3204 119205.0974 141507.3331 159740.3763 214657.0613 158401.0869 203081.2928 97309.31478 139341.1265 133092.7636 130104.3185 133377.0724 144232.0014 184766.5987 85005.77912 56019.63557 105873.2106 138803.9499 139127.6793 188676.114 191860.4194 197223.089 147587.5126 159262.6712 176348.3481 106351.8435 99355.99017 112916.9881 136848.5128 136287.2817 101695.9921 245138.0806 137631.2577 177425.8515 107296.1399 125324.7043 126704.0691 116194.119 61456.1248 146810.0408 152418.9529 108949.0033 118972.8223 167894.9018 126861.5222 119180.2855 Hippuric acid 1171509.147 1592514.854 1500941.085 1557415.743 1861843.925 3061484.523 480302.6078 990537.8529 127201.3598 590291.7597 175329.8913 1267321.305 1706364.037 6430078.68 639043.3186 1362852.504 1785497.287 630626.6539 3732920.434 338717.3628 1171914.128 1760160.077 214141.3156 686293.9538 291266.6041 194925.8568 270717.8826 1366039.682 48708.41282 1964682.763 1198245.01 1774535.32 1766623.346 1749573.038 48858.23375 3295729.593 7151289.739 2793556.719 312155.2678 248688.4248 1126115.013 1293830.443 1718868.244 11791905.88 681439.6508 192122.3447 1141066.495 295892.1149 1169718.565 2155631.676 1157226.5 1666515.469 1404078.084 1182498.552 725849.4971 542353.6029 1754267.575 87297.19585 828020.1501 1146491.49 1605542.751 456430.0364 1474661.855 1434697.665 194241.6937 898694.5968 1156043.107 780749.6632 1168342.525 874088.3937 1207145.853 1694368.988 880545.1151 82853.76464 6593712.839 947529.231 216413.8694 552370.5646 1131361.704 1530853.09 3239403.832 1700189.286 720223.7698 851093.8263 2198199.701 274915.2928 1208578.523 1595651.39 Homogentisic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Homovanillic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Hydrocinnamic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Hypoxanthine 10881951.8 2643198.731 1645508.549 4601369.296 2296808.341 3087966.765 5821014.244 3069296.173 2916667.85 24317063.43 1435094.639 10595455.59 2889189.213 2632873.826 1191503.71 1294463.006 2579211.895 986469.7147 1475443.326 2792110.197 10310003.88 2722421.232 5564899.743 2223604.07 2326617.08 3134151.183 1203651.232 3775161.3 2599574.552 1240149.169 10667265.94 2933129.283 1604596.447 1505290.743 4120514.817 511630.5932 2417340.155 1124887.003 1485264.65 2344889.672 5093015.186 10667761.3 2810309.417 1400424.47 1333053.963 1488509.803 1074868.463 1989482.71 1984218.357 1884072.494 10736534.42 2756882.822 2124558.524 2416968.084 1564163.372 1982071.318 1493565.812 1277336.045 1397256.353 10223086.33 2653359.171 761932.1622 3500920.916 2298252.486 1167080.635 1924864.48 2402041.005 722148.7714 2885175.654 4377121.331 11007800.5 2796012.726 2128063.37 3381333.545 2478392.324 2453455.623 1624579.844 1862746.42 9799820.087 2561555.189 1145019.901 2033575.271 1893869.017 1933772.844 2913952.899 764607.0789 10427051.45 2622146.887 IMP N/A 112929.3202 59632.25782 390093.113 69184.96079 78816.13256 108570.7762 90563.98634 85693.70243 355287.0057 285805.6178 N/A 135114.0709 523809.0583 163520.5771 13969.84442 110337.6011 255935.7941 95031.7984 82482.07758 N/A 148609.0068 70440.50663 10066.83831 78190.77049 406023.7019 61871.33532 142568.8984 4887.207565 61813.18083 N/A 140051.6116 91890.12605 204467.115 26354.25472 93337.25282 105058.5993 92830.949 701124.0096 94571.92396 92563.2792 N/A 146130.7114 69628.89722 125297.8245 183895.7833 194461.4007 135800.4574 632018.1783 13059.88859 N/A 149550.5053 91296.07863 34592.44067 105774.8135 164766.3686 202528.6668 209455.3223 322013.7357 N/A 96596.7987 75077.96915 2016430.724 104666.9762 86742.38756 179520.4905 504879.1802 51813.61634 58858.99684 100895.5673 N/A 144811.9522 482076.3265 112732.7505 24619.89824 103680.8617 316238.9236 244035.28 N/A 149170.3311 88260.24507 95076.1359 117437.2458 98970.10411 112658.1055 84428.00229 N/A 135289.2513 Indole-2-carboxylic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Indoleacetic acid 186075.9272 173431.5012 66349.76339 132140.2173 207518.6068 145729.4365 131749.1785 140196.428 154228.0098 63184.29075 94999.30888 187873.4692 194434.0506 821339.1066 95823.03326 99419.96889 97826.33969 185684.8991 199002.3581 116669.5528 185163.6282 190033.036 126727.8742 204794.9783 208653.4293 95727.19387 90973.82822 175912.0319 269957.8742 87675.2671 185018.67 183400.9423 96989.21595 97524.17488 125433.6 881066.02 142621.2649 501482.5205 157861.6229 186612.578 215490.594 181281.0301 189971.726 76786.94254 147037.8497 105020.6623 148666.6469 128740.1057 92240.43062 206421.4125 195284.4487 189257.6575 196257.2243 516803.5914 134902.6065 255687.6986 96589.72246 41168.44638 185507.0779 166801.9084 189785.6017 122088.5625 70962.0287 453494.1092 86183.56995 135580.7208 233500.9259 50672.08639 125493.6972 205011.9923 174409.5504 170518.6472 193466.7105 63988.86112 90473.10584 165526.3598 241642.0863 118137.6028 185197.0137 167501.0272 170928.8501 66254.67806 164990.9414 436107.7457 458358.601 103688.2249 182353.3987 183562.2892 Indole-3-carboxylic acid 25131.54007 29162.30872 18264.98227 26584.26092 49887.80777 20884.94057 26921.55598 27344.05105 26303.65132 24058.24026 26023.77089 28794.1691 28558.51316 67915.61408 24890.58578 19187.59985 31257.23169 26597.29805 40398.69522 20922.9036 29048.03707 30153.4859 22522.07687 26373.8047 24325.10636 24345.10242 24586.20362 28163.8793 19672.0514 19289.75893 26721.99667 33518.34696 27049.43003 27859.50566 31467.11113 50918.6386 23246.06361 24704.92107 28552.30656 22936.88793 49310.8149 28872.42188 29316.48509 20684.59828 52975.9105 30527.89024 41628.41089 30646.27351 25517.37903 52343.40092 27013.79267 31822.53862 31650.00631 49439.53153 28447.49293 26939.56707 29660.50581 20108.89055 61423.29252 21208.77236 28164.79275 33530.61093 23242.32159 27148.16576 33519.80444 25688.97769 43891.60643 16550.31273 41456.91893 34913.11564 25417.87592 33769.82792 42574.3282 19600.62097 29478.44304 26642.80102 27642.1087 28566.29609 17152.81249 26301.33053 18016.26526 22695.44417 34444.63984 22920.82579 43341.7324 24574.00376 24299.73668 29147.24196 Indolelactic acid 421274.6946 423242.2511 185371.5213 501996.2701 643809.4821 524597.2794 379444.0822 250181.1138 433023.6964 366710.633 547939.3672 490299.5924 434894.5781 639990.741 375557.2316 230691.2107 661505.5664 493273.9058 532772.3049 1105578.494 484150.6928 438265.3715 314714.6899 296606.9941 759747.4781 481087.2639 158167.892 438507.9133 331890.616 290484.7993 485095.8314 480479.7299 555852.7202 526018.9679 268099.0417 293309.6278 532369.0567 317664.3793 771718.5126 404762.0588 579016.2704 480253.9124 485696.7147 260924.8275 227867.8179 589849.6636 1033363.507 529139.2731 281520.0643 1140720.789 474878.2494 467525.2818 344603.1394 427874.1681 440095.61 422434.9383 523321.9046 132727.1132 343194.5378 459749.9867 414967.0663 403461.47 513510.4763 448002.6297 622066.0535 319173.4025 770796.9788 144319.9771 412200.1086 259198.2998 506580.2435 470190.1374 338741.1171 251670.5654 366002.8519 368409.6549 393828.91 568787.8126 450126.2428 396898.2794 397657.7535 418958.7959 275136.5471 429215.3354 273615.4827 591516.2088 461125.4677 456074.1248 3-Indolepropionic acid 191366.1977 123917.1085 N/A 128216.6334 333375.3905 28928.99828 134646.0298 143710.7024 80492.4797 41736.81329 N/A 189142.7187 125084.7377 89081.51547 91819.80299 N/A 130045.7396 73822.96378 288528.1244 129212.9398 183001.3964 131561.5886 51435.09387 55876.36337 145834.4903 N/A N/A N/A 25425.19604 29139.30929 195970.1423 156245.456 309269.0893 43756.72518 36640.19583 53553.88588 N/A 80158.20442 N/A 35260.67682 126867.7937 190768.3736 117329.8433 33165.93336 43320.17496 70224.54308 79463.88759 405443.1472 146389.5783 550855.2206 179491.3471 116834.9334 355754.3818 46322.52179 97104.19163 87736.79582 33371.95216 54530.9023 170923.5312 194572.1519 137048.9768 126127.3333 333300.0609 52530.54862 N/A 123572.1225 195592.7798 17945.45269 38604.48811 145906.1736 176073.59 137594.7645 146562.2844 N/A 77579.05125 135131.6399 43897.93992 104946.8726 176442.5815 113270.0747 36076.58387 72467.50048 168402.5596 202940.112 84477.23979 41710.57217 187266.5896 126673.2932 Indolepyruvic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Myo-inositol 1032902.161 1089331.932 802733.8804 1008243.51 1022534.132 1467260.445 1057720.605 615860.4832 1130436.857 1234174.304 1309020.874 1061417.126 1071388.933 1264893.436 785476.6377 374927.6649 1211587.644 949938.4226 1008792.111 1169611.497 986662.617 1109039.002 741025.618 718897.1892 500476.4981 1654246.646 973334.8179 877754.305 1249980.138 793648.7623 1052042.068 1152359.507 1208233.927 1828602.918 945643.266 736272.9783 1749768.395 1245908.483 1336083.824 1348482.065 1316048.398 999411.9394 1193385.537 688869.9934 658942.0717 1154901.959 1579229.411 1042331.804 773654.6981 1099914.251 1063201.74 1018517.033 884152.4572 1237637.873 803803.3933 1164271.383 1912838.309 521672.8183 1629791.819 989424.4922 1113183.125 1212560.619 1669702.491 1241828.236 1057948.869 1219474.531 1230388.184 322456.3093 829516.2121 622124.2778 1031564.569 1034009.992 1420601.853 818027.292 969149.7385 729787.9482 1057069.303 2334334.681 926817.4781 977894.8577 1427938.49 669265.0646 664533.2142 995112.6559 687731.6154 707447.4918 965971.8024 1014059.871 Isovaleric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Itaconic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Kynurenic acid 695047.8034 599303.6926 525232.3509 564146.6943 647326.8576 699832.6156 559721.3944 432971.1338 496180.7375 513648.1953 476635.7433 586858.9199 517586.2625 474520.1191 435394.2387 561921.9479 529420.2799 473529.3841 597191.5119 503802.7094 529276.9349 517234.8601 459344.526 490634.7521 534959.2544 518878.9951 476337.3472 502175.788 473745.2364 487937.6627 571079.8009 559273.0408 483690.491 578808.7061 472258.6241 463840.8037 476995.0845 459902.668 547348.7036 573984.159 576661.4845 547857.344 538938.7066 494486.3925 467217.8546 400915.6883 510308.7561 454175.9756 394588.2965 476702.7863 658386.2101 542201.9434 441912.6517 489596.5092 460163.4813 511652.8069 524903.6772 426456.7221 595389.8709 578883.7775 523671.6866 561120.8933 612866.4902 482560.2984 487916.0511 481150.5083 623999.9287 394165.7294 465131.6853 438275.3608 566547.4563 534447.5589 531261.8537 482667.3001 467011.0324 464651.4365 477005.8799 461832.5257 528482.5777 525360.1786 368565.676 444682.0175 406070.1604 445880.3963 378046.0401 536701.2932 569600.4752 519063.1995 Lactic acid 43667701.79 25316933.51 18290161.01 26191946.2 20562135.42 21712548.1 36792734.07 21105267.01 19493706.19 30538945.7 16943689.82 43146092.77 25004319.32 22587063.7 15870841.52 42899087.22 26533024 13689866.06 15607932.03 17463193.46 42979120.23 24727331.8 22474007.04 21766091.88 37579153.64 17485743.24 20393229.48 36080414.06 31760772.74 36438453.31 41966983.39 25231253.41 29919351.18 9404692.827 21954498.24 17881093.41 30661336.81 19396328.34 46351181.36 13477869.58 24118120.59 41610673.52 25579788.76 55406610.94 19346095.28 18617837.71 16170360.9 25418703.77 16380406.17 12410897.82 42192326.79 23722781.84 20812771.45 20544748.34 18169684.23 32102676.46 9224969.567 14923389.31 16854255.95 41558890.78 23974590.76 26456703.15 23057621 28750171.05 16730784.04 20003973.77 16235521.54 108849048 20811976.17 24506043.93 42963082.09 23788038.49 16246009.64 23832041.02 23143580.17 20775826.93 13186552.26 13554730.29 37684680.16 22225491.78 16241435.18 13028486.73 24235255.68 17469716.9 16387489.65 11376125.13 39095810.28 23294663.03 Lactose 49156.05949 125263.8541 21271.06772 243800.9317 22521.44034 106933.1271 53535.52175 31623.92184 29438.68888 307692.1404 402523.4392 42263.29602 117464.53 396171.1664 72111.78314 17984.89934 43982.2334 240251.3214 41192.03853 41344.78716 40883.39965 119301.2204 41276.40613 72724.09705 26555.43067 196737.4861 20973.59784 42821.12283 73419.51476 43007.37331 42814.53446 119480.6946 126588.8216 60965.94437 93126.32019 55927.81666 82586.89396 24081.94548 143629.4889 33971.18422 34712.94963 40932.39514 105479.2446 38710.64508 102295.5064 215563.8083 299527.2718 76757.22746 45142.05876 126994.6526 45300.36129 117235.0963 29369.37826 43994.42554 26305.69372 113297.3731 60003.78614 193506.5914 268631.2727 34893.66798 112706.6578 80536.11602 143761.6284 52471.47328 35253.00975 60486.86435 146451.2229 25222.72942 39034.03382 40577.18628 41243.43228 108318.718 196501.9011 103885.5237 112355.5317 22205.64026 265883.9346 196628.091 38438.97048 98806.61117 170411.3868 25847.09973 39738.37532 94314.18842 33357.58291 21795.31891 37559.2057 109984.4591 Linoleic acid 551208.8411 1171625.882 1637063.207 438262.1712 1534751.056 1089241.093 1564939.21 994925.8486 1657987.282 1577377.271 1049717.271 588083.0874 1396617.875 470766.4351 1326487.76 1715348.974 1334375.541 459525.6826 1115143.051 1814617.59 571308.1824 1305290.643 1449144.136 1355143.093 1078649.437 1195913.591 1797284.33 1073983.599 1796500.407 1638087.178 544801.7266 1295641.195 465990.161 1535930.89 1508289.044 261040.4544 836346.2155 961725.366 1130963.645 708850.9885 1609513.434 570940.9442 1181043.672 885736.2442 712292.1839 1486119.216 1122131.264 1597239.695 787463.8882 1315848.784 579260.5563 1208870.714 861484.427 1008523.444 1330501.88 454974.7197 1586641.276 849184.4618 1999619.746 559052.2877 1164994.939 693866.0962 1624955.557 1750355.156 771917.0307 883259.6549 505991.8959 782585.0906 842957.8079 408599.6145 586928.39 1120332.701 879796.2991 1547281.336 1683019.975 611951.7613 855791.0926 489922.2845 507579.2805 1036996.363 600162.4641 1158404.421 711829.7373 967119.66 1130414.294 996934.1452 592708.0444 1182249.694 alpha-Linolenic acid 91157.62582 133872.466 133467.3037 42248.37702 154137.857 147526.3778 195291.4354 104868.5943 155109.8664 160804.1017 146921.6734 94151.1821 130153.7845 61502.79143 145124.5553 190956.6113 137179.0757 68102.10047 137272.1908 244617.5068 95288.82323 137289.2824 110945.3331 166411.1905 109153.4599 92529.49977 253032.1487 108397.9404 219860.8311 198090.6283 103957.5071 131313.9221 50361.45461 198865.6824 171303.7608 26148.40923 109154.1096 145267.5872 166436.7557 74171.30164 161294.9491 86747.40684 133670.1721 124777.5933 70604.29125 183474.1117 136393.2185 180700.9574 104418.4779 119054.8529 96331.37709 138708.8309 96010.79085 107342.8587 141231.6947 56404.83251 203773.4944 59847.61292 192894.4808 91934.7553 130660.1979 78213.7846 200830.28 245224.783 81654.28687 87188.83427 54909.64344 93907.81365 109849.0829 37653.02116 89827.99999 138071.2069 80217.12998 189041.571 162600.1108 78011.65711 83998.94427 48333.03909 85454.16897 118886.1304 61727.07166 134920.1318 95308.25199 107176.3504 139783.3785 108490.2756 94950.32432 126023.2208 Mandelic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Tartaric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Malic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Maleic acid 78667.50203 84493.30044 91916.96003 61228.7095 57561.76663 75301.61996 87845.04435 98056.17161 66011.51348 70378.98248 62709.57022 73362.21163 90112.92504 91272.99966 75076.10702 45065.56276 94978.85816 72711.41294 90249.04135 55768.40502 78120.06674 76793.86563 96347.75305 75667.83781 56467.3744 48465.23708 91974.84567 65806.19442 63744.69136 61500.61766 77948.96192 84100.19753 213957.1142 54933.4313 52729.41254 48249.1292 82863.63296 57630.72648 69509.89692 73054.02496 51197.37027 78358.37237 78752.70202 77864.19547 68489.74531 69489.3866 65007.54863 88431.84672 70582.09855 66641.48677 81104.21241 90026.27442 63778.61288 50835.83417 61367.93225 62425.29285 79227.83235 68185.79205 49046.66311 70173.028 79533.46512 57639.32096 61382.62393 64985.42949 82943.2093 158062.3593 87925.61906 61218.7664 59538.79554 156027.5444 71562.6306 72680.10226 54785.71474 99983.76535 94533.42356 49792.1198 61794.82602 75802.501 58764.27895 90756.42684 75841.24793 46978.07598 75113.80784 85253.49466 68787.22171 75249.86933 79858.1204 83904.04722 Malondialdehyde N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Malonic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Mannitol 53557.56994 50422.80994 9251.827665 32570.2101 15932.06804 60807.25197 60232.6418 14281.73551 13160.13893 16110.44383 15424.70082 53124.49119 44686.88366 16232.5691 25613.53384 11149.5167 25001.09125 94940.37615 40481.12154 26302.20949 48125.76735 46220.21627 115732.7795 19296.02458 238129.5339 21641.05429 19966.72657 14101.35993 14232.1589 11099.06026 45983.80986 41403.74685 11605.05474 20843.5083 20078.46656 56021.88182 40461.65514 10751.13578 80693.70478 19370.74713 27352.97891 52044.96157 46760.07398 10144.99313 13803.87826 12751.6654 109756.9678 8412.640634 31981.46628 588201.9431 48171.25379 45439.43628 94344.08104 19068.20249 19491.61885 17502.62811 17970.41057 27112.73072 45979.57769 48798.68634 40931.0289 16658.30447 45355.05517 16269.01798 11816.69258 9073.737371 15009.47924 434332.623 19476.77718 10483.12419 44592.65918 42520.71225 27229.72254 8982.212642 14076.88677 14960.04031 8561.317158 13490.15622 43946.03964 38256.20651 26496.5375 7090.135269 31539.64965 14319.35197 8641.314901 9930.857918 43348.20829 37108.83922 Mannose N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Margaric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Melatonin 29354.78519 31302.70958 35237.89853 21616.16067 12891.87946 36087.69234 61079.25038 16090.03818 7835.736336 34635.0293 43151.95108 26706.04854 24632.49055 26336.06407 41866.60424 N/A 8372.423717 12697.19548 19349.10803 32026.96642 26167.69512 23623.0252 N/A 25182.95509 63376.78371 18322.16628 15562.01491 17615.32474 6966.2615 8298.483497 28115.36933 28140.75993 27084.99528 17143.99471 17798.55694 31620.48531 6103.035061 22089.22897 16291.33117 19373.26503 16926.38688 24861.61331 24983.03511 23642.31867 11302.61903 25525.06464 19085.77209 3659.183915 40955.42849 22377.78373 26269.26614 21156.78534 13761.2369 5065.047664 25291.40253 23914.82779 14446.51796 15099.71192 27268.72728 21327.94162 26015.73657 5165.806974 16842.0023 33698.19099 13667.12717 21549.68564 26798.08573 20473.41265 26790.15341 20406.93649 22923.90172 22280.99937 18028.56292 8599.182836 5339.76558 33882.32455 6889.790521 14304.53005 19182.86721 18219.64007 12409.30838 12981.12617 4012.339159 32745.76621 16934.50582 6351.447856 22427.28154 24487.20257 Methylmalonic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Methylsuccinic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Mevalonic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3-Methoxy-4-hydroxyphenylethyleneglycol sulfate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Myristic acid 16852.03211 26339.04781 18937.63364 18845.22523 16258.82112 31263.74376 30884.88284 18485.73378 38525.26676 43388.46345 30641.96572 24145.60443 24135.02706 8739.353378 39529.89275 45513.91836 32827.05373 5896.477336 30459.26169 26589.03249 20436.51275 27054.73188 24351.38046 19953.64355 37928.93808 27497.23591 74377.51137 26874.93973 28348.80977 21174.5311 14827.38791 32646.99162 26488.77002 27372.6858 21239.20235 6982.671913 17255.32914 48618.07672 30106.69695 14001.74483 46478.25129 15362.83332 27425.75122 31273.46378 24610.61777 24241.96776 25679.04965 21928.13159 29497.43612 28245.40666 15621.32104 24649.92299 21664.10839 15691.80853 24815.12642 12388.68717 25465.21501 17166.94965 45403.04675 20958.8276 21589.92217 19330.51152 28794.44701 22767.94105 23854.79955 30831.7504 16163.99857 11268.58346 31932.50987 16833.20838 18567.80651 26689.01799 21827.49462 29666.82501 26165.93002 21833.11527 13450.46412 16565.02779 19721.67428 21583.96788 13842.36787 21827.15557 8004.228043 14344.84618 26522.37469 36650.29552 19369.82831 26699.84676 N-Acetylalanine 527602.4587 694806.3979 718931.0246 832387.975 744476.8743 765739.8866 713160.4986 688162.3293 689255.9288 744916.4903 833833.0778 525345.9127 744864.5325 643735.3506 499112.8412 423243.0487 847018.9823 524375.7773 813294.0078 857041.6718 541824.0978 719594.2709 625600.3107 1219672.417 626567.5813 962784.124 452683.5037 728674.6399 670264.4605 478768.515 533299.9075 768092.8611 961213.5623 893184.3128 755039.8019 671803.2052 737914.5308 465632.0797 895032.965 837216.6364 990518.6127 519060.8754 738941.2609 583817.1523 715049.5339 704405.9357 1040362.672 804013.1794 702322.2639 873316.4926 566248.8499 773123.24 713579.8172 687431.801 701555.8268 738136.9922 902606.7249 833487.0745 901570.6775 542490.0675 716146.9561 758762.9831 724344.2436 767875.0868 756249.1472 607447.5443 1092810.85 243429.5318 709632.3137 492741.5372 555373.2863 722513.2483 875783.0619 590697.0491 902731.1303 656242.9129 626983.3465 1024164.605 484883.7742 659752.1665 689569.4915 564182.3375 700470.763 804066.8879 816923.3608 552809.2603 515935.0511 727051.7055 N-Acetylaspartic acid 896594.7558 845374.6241 925131.8227 929752.4965 867488.572 963947.0584 913693.2187 936356.6081 1028299.109 1076695.974 1087773.998 944409.1729 944812.9659 1098779.256 1002387.901 786754.4916 857469.7419 875554.6283 1068602.399 829949.1136 892989.6791 959960.7159 931149.9914 940568.4407 753519.555 945371.7944 976999.8915 814860.9619 846470.7273 838760.5995 880501.039 903631.1253 973966.6915 873177.3946 855903.7858 926508.7493 890647.0955 861915.4718 878258.7105 867093.3854 875553.9525 813146.5888 901608.0989 847389.9911 951363.8766 952051.0792 912743.6253 862322.4786 988105.7448 873965.2532 803313.892 892795.3891 866308.2355 797459.2991 819575.8425 844623.7838 854511.157 878246.9466 846638.5641 774850.6009 831633.9937 831867.5323 890198.0678 900534.9975 799375.9541 847940.8762 967449.5436 742744.6492 822490.382 860574.8808 886705.3357 843857.2879 845508.5511 985478.9253 858321.3811 744820.5795 801438.747 930942.5391 741933.881 725259.7902 701843.3457 783012.6526 836347.1177 790154.9728 768351.7148 683304.9989 747828.681 769252.9934 N-Acetyl-Asp-Glu N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N-Acetylglycine 289154.811 259483.278 387253.9327 214290.7126 103186.8611 204916.6794 170096.9563 117596.3334 405819.599 496550.1623 251890.0658 295195.5341 253816.7303 141130.0633 215312.5719 186465.1947 107637.848 110729.5698 116198.4407 386925.361 265475.3829 248391.6908 237677.3939 456926.1296 125860.8761 153075.6574 481735.548 186969.8843 304690.263 495020.3109 264481.6934 238652.7518 121385.7028 407542.7332 190858.7179 178491.5617 171641.4363 152281.2198 112784.2295 891487.6141 358182.7655 280608.5545 253699.346 320490.1534 138518.0345 504284.9328 138181.7607 169008.0472 150610.1956 251817.4665 258973.4004 248556.5903 128303.3655 214798.4288 94384.29778 124405.4909 415086.3658 315536.6707 278984.6143 259550.6959 224892.7275 103247.4966 95720.62482 126446.995 130342.9045 115245.6753 109522.047 52023.91755 124911.6385 106419.1219 274807.8599 223269.3086 79089.31669 126027.2215 272628.9492 115944.8289 190967.9639 283504.5361 249101.2092 220917.7341 125988.0693 154806.1832 90882.82001 134966.7096 76854.68668 152942.9765 257131.4441 236407.2516 N-Acetylneuraminic acid 89509.98263 131484.961 139985.5995 228392.3994 113218.5851 164348.8074 132236.0956 137630.6811 105547.2479 228945.3759 355051.379 99375.22724 161882.877 330245.9203 216211.8405 49035.22925 136035.7689 319547.7578 157538.6516 144839.9561 126846.5101 175261.6919 102611.8199 195317.572 86033.31169 319092.2284 122918.283 200942.6109 129132.0799 90844.41776 118903.9078 180812.8752 193318.9066 221832.7551 167298.9811 133209.2341 152649.5708 101498.145 370743.3328 215747.0136 188678.9942 131319.7048 197775.4206 119665.0598 176931.8406 299411.6597 461093.7 177759.103 140034.1516 254806.0653 131070.3221 202703.8074 123533.2948 139177.3537 112853.7493 240133.0001 264693.6503 239317.7238 435472.2238 109521.6864 182759.0883 180795.9037 374187.0274 151672.0778 168384.3433 175579.6003 363229.0464 60952.59813 172695.2623 144656.8366 133724.2851 208107.8679 525042.2421 148839.3114 337072.4771 112347.8541 655840.4841 663132.9895 115786.4448 200251.6531 331311.8293 102250.5207 165820.7141 305554.4766 151896.1713 103842.5136 116068.4066 209153.779 N-Acetylglutamic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N-Acetylglutamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N-Acetylmethionine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N-Acetylphenylalanine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N-Acetyltryptophan N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N-Acetyltyrosine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A NADH N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A NADP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Ureidopropionic acid 8114.7844 3741.627159 2727.365158 7403.15905 4979.920317 2721.947854 3978.51316 5424.959505 3506.730916 3074.948163 3543.284113 6397.367454 3831.957733 2679.221393 4287.197272 4350.002346 5284.960478 4349.733239 2875.486258 6502.784115 6592.150853 5451.071532 3150.86525 6705.197873 4017.206869 4738.317635 2793.50194 3079.325985 4913.21997 2632.760741 8343.055992 4753.380017 4080.109748 6232.904933 5563.878134 10082.9547 2885.962175 4987.065538 3784.57488 3005.533738 4603.495202 9053.846129 4026.652525 3526.033188 5114.729947 2514.891688 4617.119066 3165.819587 2918.796427 11785.86692 7948.251682 3607.350503 5423.651359 4926.775235 2885.881851 3974.488758 4562.52212 2569.133668 5738.343627 6799.710834 3968.106461 3446.88194 3789.753655 4949.097913 1935.762517 3350.986724 5068.169139 1640.019861 2813.613009 4556.310186 6916.074946 5183.804087 3242.911017 2254.066342 7802.904669 3842.640567 4788.402915 2695.030446 8234.433091 2122.644737 2972.026917 2860.11472 6095.803906 3205.355501 2594.720271 2243.488173 6381.263906 4271.962722 N-Formylmethionine 26503.37069 45082.32581 40182.55806 47863.34531 55140.64477 45049.04882 42408.98138 43065.2593 37389.79433 48973.27422 51473.25467 28850.7991 43560.80736 39441.07441 38005.17726 23042.98968 51237.506 32671.11111 50103.17479 61429.36237 24121.88691 46270.81593 39016.09848 88012.82637 42485.73846 55846.46795 33190.57491 35799.99627 37222.56499 39043.26034 26814.26545 46211.07666 57553.83399 52637.06562 45704.12694 43012.4303 49104.04669 34451.40684 53083.39761 51916.27463 61739.64722 26287.78479 44281.55326 37256.95661 45873.76058 42931.13662 68347.90825 50608.86718 33765.3336 53822.08266 25490.8746 43088.20034 46879.67232 42204.82723 38032.58419 50041.08516 50697.60722 33102.54606 51064.03407 25542.07436 44527.82103 48117.37372 35557.83009 48882.4281 34488.57122 34969.04928 52313.62299 18065.60649 44075.04329 31462.65106 28425.36119 44557.98999 48688.67477 37342.49 52681.42273 40418.0099 44463.95571 63353.55979 24360.63008 42686.84197 39515.4795 30778.1032 30566.72276 42974.83713 39919.72145 36757.85453 24539.8631 42239.13189 Nicotinic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Isobutyrylglycine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Isovalerylglycine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4-Hydroxyphenylpyruvic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Phosphoethanolamine N/A 840058.0052 658281.1796 1099315.156 617916.4404 818567.3734 986426.3792 775904.4231 694866.4561 1932238.879 2299569.129 N/A 1093049.385 2609183.787 1310161.844 272354.7364 728309.038 2731367.155 992184.2689 715836.853 N/A 1092490.464 662835.7631 192675.2099 672827.6908 2457464.199 716815.3597 971146.7365 162728.6023 526568.8084 N/A 1058930.986 929923.0219 862850.7281 514178.275 776010.6129 785387.7478 781800.9504 2879700.23 698226.432 837659.8391 N/A 1118963.142 707017.845 1163961.175 1941900.411 3093656.186 1504635.758 1273926.74 333826.7572 N/A 1067574.673 743104.8776 565773.3896 773778.5782 2003305.661 913373.3625 2433493.078 2222094.102 N/A 769620.204 1184143.153 2499391.847 957532.7716 806259.5346 1214374.546 2071192.829 475583.4517 562776.1921 845167.5214 N/A 1043134.761 3029097.093 805078.936 494033.987 728152.8667 3216285.089 3135486.926 N/A 1016511.921 853360.0957 636841.8525 847844.5131 1204785.136 830958.1156 722614.0787 N/A 1022682.965 Orotic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Oxaloacetic acid 65840.49458 21009.76772 22412.3321 27168.37131 19533.05793 18831.89796 22917.09696 22129.59647 25749.62336 23756.32963 26506.53635 73163.32547 21438.97823 23313.45056 23700.19322 26429.69494 22390.10856 23148.79872 23671.67881 23465.14241 66619.03234 25716.16739 25377.23267 28779.23707 27833.0137 25211.43755 28022.72272 22910.71201 26173.02824 21435.75116 73173.01605 25638.44867 25648.90174 25421.84865 25634.88479 23907.30508 23313.26552 25273.78334 25559.28638 23326.18346 25494.6472 70239.78663 24445.90375 24118.80559 26412.52019 26792.96663 27944.64013 31282.77284 22938.29126 24076.12722 68967.5178 23885.0127 24833.73941 28955.79631 28444.81242 25105.78428 24382.00648 24660.51668 23764.60744 68216.47221 21354.03104 20903.12173 20022.95996 24630.27996 24674.71921 23250.73873 27672.10551 25006.1156 22152.6258 23927.62595 71100.0147 25001.37484 19610.51212 25782.9319 26754.36325 20878.62071 23213.10599 24845.01413 65699.39731 21678.33838 25248.73231 26711.66174 27402.85697 20318.9146 24535.16688 27903.37342 65960.10067 24709.68156 Oxidized glutathione N/A 34701.46436 27114.69792 26428.73092 20031.40242 23736.61701 18403.88851 16610.24236 18838.07349 45985.7317 55853.25046 N/A 27514.34807 68087.94545 43813.02944 12551.86811 18157.5915 43239.69936 21609.33919 19743.86199 N/A 26477.03481 17014.49266 13023.30888 15456.50538 62444.22295 28576.11053 14941.42985 10119.73862 14869.26684 N/A 24574.45218 18275.35776 19192.95513 15719.84329 13302.03247 13084.78374 12079.65378 51087.32687 13597.79689 14585.55789 N/A 23318.84945 13315.02654 32644.18086 39599.45896 30810.96813 35006.57827 16976.22074 9038.517876 N/A 24916.03901 13260.33457 9136.61405 22433.58905 64986.61038 20775.60966 37003.22014 76995.14345 N/A 18065.66334 12114.56252 39018.37532 18987.18951 11384.83503 22980.41643 29920.56734 14499.76599 15571.22836 12073.17137 N/A 21354.57936 73153.19452 22200.14038 16378.59445 10993.56015 33456.36386 70350.78366 N/A 20767.64638 13213.09958 11628.69135 24034.13695 12830.27891 16886.10203 8502.80154 N/A 21325.98505 Oxypurinol 145108.7296 1641435.238 N/A N/A N/A N/A 37528536.37 N/A N/A N/A N/A 157147.069 1683958.938 N/A N/A N/A N/A N/A N/A N/A 158451.5753 1645840.54 N/A N/A N/A N/A N/A N/A N/A N/A 149346.6982 1744275.873 N/A N/A N/A N/A N/A N/A N/A 32418632.75 N/A 155364.1088 1741134.981 N/A N/A N/A N/A N/A N/A N/A 155919.5714 1764416.097 N/A N/A N/A N/A N/A N/A N/A 150734.2142 1618315.066 N/A 66830740.83 N/A N/A N/A N/A N/A N/A N/A 145431.9251 1718600.29 N/A N/A N/A N/A N/A N/A 148501.2946 1599615.302 N/A N/A N/A N/A N/A N/A 144763.5343 1600929.968 Palmitic acid 301567.6616 464547.6023 491851.5603 289937.6675 523056.345 416476.1708 509949.1474 337024.7901 600767.672 586872.9589 538529.2673 326595.9304 541235.4171 182252.9108 601723.6612 703030.1475 539798.4341 182806.267 391619.896 630300.6962 366579.8824 493843.8413 579433.8281 559220.4084 561903.1459 520128.3585 804566.9346 518034.1726 481351.0034 445067.9137 349367.9752 544984.9092 283910.9857 453726.6461 399188.1022 152586.9569 263887.6831 673358.8928 530675.6295 405536.5871 544630.3357 364751.7373 519903.6637 369571.9919 300177.1198 428834.3292 515187.8797 437982.169 330719.5058 415394.9854 337663.844 524108.9456 387746.7091 358854.3194 488107.9593 249652.8575 450397.6997 336326.1334 582193.4251 329725.6498 485492.6206 276457.9788 382875.4361 429258.3574 401696.5543 389307.1223 331252.902 220637.1326 419485.2415 201337.3987 348931.8762 492409.738 324165.1297 444745.5978 470902.6248 298986.0366 262779.8147 250307.4458 339224.3867 467168.5125 272342.7276 383609.1183 231360.6131 274367.4475 399103.9086 495634.7973 340336.854 508242.769 trans-m-Coumaric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Pantothenic acid 168223.2051 254093.6256 125931.7312 118088.1492 224241.5678 738505.2731 289568.4511 209558.442 265421.9044 110530.1851 73910.60743 169611.4953 233619.072 138025.1174 87694.45143 107852.4937 143531.3099 95255.91672 138863.834 316317.8845 168875.4715 234814.4343 218002.238 196463.1331 124787.5344 219442.9521 656223.1176 349500.6376 122313.2193 181306.0599 176911.9986 260706.9049 165099.0493 119513.0498 375579.2787 270645.7584 766009.5988 131327.5895 217272.1736 239223.5381 188747.748 172089.0394 246122.1403 92951.82512 191236.2927 254799.1438 120032.4512 135275.4652 57060.76333 289519.7445 165246.185 225621.447 198913.9102 111743.163 160317.1509 230492.444 122743.3107 163691.8661 479620.618 171690.6071 233443.475 169172.6665 524791.1704 332418.4149 143425.9937 132922.7063 202537.41 49991.3274 116952.7027 86610.0205 165142.1162 230561.0443 134907.7589 156142.2103 204622.5792 471465.5069 217598.7967 424232.501 150039.41 227987.9981 146221.2423 114625.5641 292853.0689 325828.686 227804.5995 119768.5532 166429.4302 230507.1672 Phosphoenolpyruvic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A PGE2 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Phenylacetic acid 42231.65028 39537.25992 6507.126823 32408.10426 45757.70047 4821.495091 19256.96374 54438.58032 6814.082939 34007.15762 6537.271216 46372.44423 42083.26731 24703.10314 12631.74198 6855.312117 20454.88444 16471.06936 34234.15316 10625.48624 41762.09318 38158.10861 30365.63669 29784.39433 39337.75154 4249.082822 5765.099481 10655.05741 3648.892906 9123.51962 44346.89457 45185.43118 12958.59604 4659.215112 10998.39687 40974.60144 6799.660142 50742.51372 7310.004314 10093.62729 29160.63713 42499.63754 43421.13848 24759.92249 32108.46301 19775.64827 27246.5868 7941.91006 20824.04998 159369.1051 43920.45374 41187.07903 7616.500192 48779.70461 17049.42444 49916.47075 4858.581983 4290.769783 48029.31196 39195.02997 41052.44031 54789.13401 24809.01799 15467.25428 5158.32238 17567.09745 40638.62876 7712.451073 36084.53875 61778.20886 43829.2693 43363.23201 20600.03338 11382.53385 9169.074779 15700.3287 32853.36105 5911.961921 42080.9488 41547.75889 45828.81176 19912.92871 35685.07601 16427.95254 30445.85332 16392.4944 36764.56925 40864.44371 alpha-N-Phenylacetylglutamine 1533039.111 3063840.556 554427.6191 3817466.14 6446938.534 235957.5518 2320242.719 4158748.767 478379.1462 3717838.406 399397.6144 1642611.552 3077742.537 3977377.586 1364296.937 468899.5841 2836305.262 1704575.919 7051231.899 4230862.013 1506277.251 3123891.497 3251202.812 4069933.659 6713770.239 292853.2696 422768.6557 1813331.831 176971.3507 1502516.21 1516380.816 3226606.986 1583300.147 378143.2912 238581.7982 3592339.881 222027.58 4768519.663 1277649.622 2736813.447 6151464.273 1571287.667 3191576.037 2507910.447 3399306.716 2787964.001 4736995.975 1615914.818 1385503.213 12941196.32 1598762.807 3136737.407 624277.5499 8178043.708 2596055.415 8241663.8 398444.5896 239069.4957 11840964.39 1460142.64 2859545.349 4597444.426 2326818.353 1865968.357 224746.2239 2672994.829 8947363.525 526233.7995 8040177.005 2818975.068 1572295.146 3126720.366 4016875.394 1327534.495 1757541.643 3463970.36 3903225.325 618203.6733 1470784.714 2789111.928 4646103.341 3244883.451 3117934.075 1886227.32 5091965.104 2361199.529 1559951.55 2973188.117 Phenyllactic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Phosphoadenosine Phosphosulfate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Phosphoserine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Picolinic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Phenylpyruvic acid 10003.41854 12566.84648 12508.45164 10385.17949 21884.64685 20068.81772 13506.96596 15644.4776 21503.64391 14714.30432 8551.76961 9204.78924 11856.17595 29413.65247 12633.77803 4292.205345 24050.29724 11829.14571 28122.35865 7682.868646 7754.161608 15489.36087 10438.05365 5081.560819 29669.33586 24995.82858 6440.131837 17919.33074 11895.33313 10543.09589 7885.668186 18193.44976 20415.12256 11863.48752 10970.01545 6780.662458 18655.63032 8732.724696 29642.12822 9606.36958 21706.62722 8273.479388 17748.54595 11765.60377 17744.25881 28118.35984 18402.33251 23484.62127 10977.79689 3577.5526 8585.736441 14646.48862 21164.2584 20516.03666 24462.50197 22575.58831 14053.98795 7233.144534 11327.74894 7508.656164 13543.53311 17865.41894 27373.33295 14508.72058 26669.55117 13857.74687 35729.08152 7194.184753 18659.29072 21220.56067 7936.999183 17636.65574 14883.73663 14596.57446 8651.337168 20940.66189 13687.12652 33534.87686 7489.334194 14889.90024 23842.37439 12440.59119 17611.20136 15163.25625 17081.23019 22439.74419 7544.083151 18457.72183 Phosphoribosyl pyrophosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Pseudouridine 1906969.995 2939966.483 2472638.807 2240157.389 3013734.287 4727726.523 3032445.074 2787113.62 3779488.707 2616375.046 3497568.52 1893652.519 2891456.827 3096703.31 2043211.018 1553991.232 2961712.075 2159642.103 3431994.714 3184535.912 1879498.235 2923255.487 1923688.951 4042782.38 1972386.445 3430650.892 1812531.026 3054660.137 2421888.62 2133114.549 1958525.929 3073560.325 3237238.534 4134453.369 3275372.177 2565215.793 3123007.893 2335096.393 3166996.406 4453705.332 3626570.91 1991053.205 3023021.02 2219513.739 3555601.812 3034735.962 4059020.322 2445098.287 2773303.363 3920613.193 1923562.239 2923519.798 2801249.269 2256300.052 2890037.8 3458059.565 4233111.531 3629566.702 3666479.422 1842638.828 2787499.72 2684676.703 3378682.928 2885959.309 2776674.791 2321500.899 3971967.018 1388519.839 2877654.463 2228115.331 2012685.69 2942806.304 3506517.598 2474962.376 3614272.013 2337360.691 2786978.574 4840499.405 1811487.457 2686441.904 2996739.398 2180796.073 2850456.753 3534452.358 3003465.388 2032088.886 1912086.102 2928032.756 Pyridoxal 5'-phosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Pyruvic acid 98823.7817 469109.283 263331.7744 272394.5755 532546.251 646689.4095 570922.0074 400122.5402 479495.1917 578878.4136 400691.8323 112671.2663 492216.4842 510143.5319 445026.4552 351410.0408 624307.1072 328013.7737 574924.1773 355789.7396 103638.869 515330.9287 452698.2734 311543.9558 642349.5324 551953.3255 384018.1384 823248.5697 623955.1528 459829.1187 102841.073 549483.1284 596596.2726 316646.9814 491064.1372 281109.891 604233.6458 393389.4416 1258423.577 374916.2708 538095.2726 106979.642 521847.1444 368735.2972 595302.7911 418292.1906 516939.0921 852228.0351 489839.4971 133942.6333 99931.314 545182.8308 785238.1806 545366.1578 927830.7667 708559.0252 287605.1522 561978.812 463922.7623 100371.063 526751.3491 632428.2103 625078.0402 897869.784 520241.1187 819244.4302 575854.9262 371077.7935 714751.1663 651857.2143 103124.8499 543964.3846 641002.9932 566845.2683 493339.833 773035.584 319509.6879 467402.9508 105375.3104 480871.4412 471055.3362 361455.6014 994614.8387 371344.0871 577899.7464 515288.8614 116340.7747 511577.4856 Quinolinic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Glutathione N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Retinoic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Ribose 5-phosphate N/A 54290.14579 43858.143 215745.6326 33144.44129 40927.13605 54422.26742 45016.13948 35408.34642 80247.95509 112115.2042 N/A 67497.71337 117927.662 56989.60997 16088.93208 37574.61248 87923.73554 54600.30264 50845.21128 N/A 69001.04048 40878.22228 27105.87677 40007.75306 75374.58414 31522.01984 52320.73882 26873.23546 31212.88258 N/A 61598.90171 40587.55156 41827.03837 254853.2676 43808.65241 44567.43727 40595.00488 74546.76348 30943.3514 41738.99929 N/A 67366.43986 36902.76823 48442.11477 94373.0262 112423.241 55312.0077 72462.05601 34307.64029 N/A 62432.14882 35499.42071 176780.3068 36641.10409 62662.4889 49600.25954 77135.91829 82846.02248 N/A 42532.45547 52766.50368 131924.3401 51124.7782 36297.84217 56623.80944 95790.51843 26310.06779 36160.23405 60571.323 N/A 61519.81414 88799.89653 78207.57092 133138.4813 38248.53105 94082.10614 71461.20302 N/A 60677.25427 44634.7272 38977.13916 37957.31528 57956.59004 42640.00827 32711.40445 N/A 64797.23347 Ribulose 5-phosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Sedoheptulose 7-phosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Shikimic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Sorbitol N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Suberic acid 485426.1341 1240199.324 185457.0279 90117.69766 102588.0755 130189.9141 106516.2884 101173.988 130153.7166 131723.9723 88731.98179 563620.2214 1273552.666 91415.47681 137775.0771 84495.2028 89770.26167 66057.24892 100584.3661 303723.7649 502710.9767 1253756.369 90126.93261 95302.36456 147496.1763 122779.745 178723.7216 131482.0976 160458.8985 90833.64096 536314.2127 1238901.383 113331.4242 140037.9633 73809.34594 94374.26062 201389.1109 185560.5812 122810.0859 117148.9165 109309.2948 507363.4864 1395669.624 103625.9762 106553.25 116846.1427 142043.3083 127824.6974 110068.2236 119436.8705 490559.1332 1393498.169 100440.3728 83057.62521 93459.1379 127241.1928 116693.4709 104892.8057 175186.1842 459444.099 1325973.64 154946.4035 113522.8333 143136.1548 158884.7797 133070.1993 152086.2547 101679.2235 144536.0405 89450.62488 537593.6712 1346432.018 110881.9712 105207.5881 108581.0282 98236.95482 109741.8263 105213.0761 520726.6844 1229034.002 95455.51863 103516.8638 124363.6057 88006.83289 97385.81395 269593.6782 509356.8681 1229388.152 Succinic acid 2664723.809 2232361.182 870605.5745 1291888.7 583844.6977 3991719.216 8383946.97 877283.9218 762832.8903 1255513.944 1178912.938 2464802.064 2866215.278 1437191.875 1325980.901 492539.02 930690.5666 1266339.674 854212.9954 829921.8237 2410627.262 2401009.961 831761.841 769794.3307 737647.0062 1395738.916 1177617.572 874648.445 505185.34 2343633.379 2410914.041 2750559.949 1356657.375 1437448.147 1015557.742 1132145.521 904110.3238 1388106.66 1492083.149 487626.4055 1134140.015 2449626.346 2404832.715 632190.0709 1335705.591 1210033.912 1258605.271 985941.1755 903843.708 1206493.573 2413114.062 2563683.212 760772.7814 880707.4641 896333.8208 1676234.754 1080828.541 991528.9282 1248407.1 2351849.94 2261282.321 1666653.21 1386069.943 1152132.61 1072063.847 1081081.495 1563886.426 605318.9024 1810386.581 957638.6314 2425710.987 2245688.423 1496273.97 1212139.297 914451.5484 955709.8033 1049106.582 1571687.6 2321413.323 2211427.709 739901.5453 600127.565 28562.446 1016975.222 4691459.53 740658.6826 2410197.151 2386272.619 Sucrose 136394.3778 204830.3815 69850.89409 66554.86161 123051.3892 185334.6153 41825.1499 554074.5513 77537.49732 42873.62576 504391.0711 129471.4682 200470.4833 43259.43141 228297.3466 41902.34843 109025.1757 32407.40487 118370.5401 88156.32577 123537.5786 205588.3403 46681.31492 45496.00985 52451.11605 53242.14765 33001.09591 42182.94651 90703.92582 41791.23636 137382.1705 201766.5426 519825.359 138109.3756 58043.3125 350506.6834 131281.8347 51009.86825 54192.379 57769.12614 48935.64281 123788.5014 199277.2063 44879.01662 254065.3529 80980.14407 73165.85454 49619.39026 31683.16093 77803.02585 129595.3843 196745.14 101860.5231 152148.6377 63013.71926 162318.0324 242149.5017 97667.38782 80806.06871 122756.7756 176682.9912 72390.02168 825187.2179 494834.9376 150687.1227 90679.92095 303214.0153 70453.6213 134268.9552 550393.8812 130907.1882 184419.0294 104128.9221 94396.11726 86441.79715 54111.48254 59209.78899 638426.7059 121503.8836 180426.347 229664.9381 73207.79285 164355.7079 94818.62092 111288.269 94523.15165 137488.2009 176191.9399 Tauro-beta-muricholic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Taurocholic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Sapropterin N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Theophylline 776963.7029 617879.0735 138971.814 904130.3626 2930940.713 143419.2527 1130575.688 233887.1819 1313210.242 18241.60503 597467.3435 759994.6823 619805.0291 718076.6101 55407.20011 394766.9267 473806.814 843801.605 1298329.56 40494.362 749270.946 655516.7938 260652.7593 485694.1174 402276.9118 2359462.431 181442.7828 91494.7837 19851.19105 1414891.651 780217.6882 622822.0764 907877.0318 54437.39888 575687.4126 755756.0497 5324314.436 436094.7914 558786.4945 174050.5555 1235219.815 742199.8822 592062.9725 N/A 29178.26771 4711.765034 1285193.343 477082.0105 1952709.569 57804.49702 771574.7433 598897.8807 800927.8849 233763.6807 568370.252 110857.1619 50769.8606 333039.8583 305505.859 761952.29 529419.1683 477858.3135 37200.25182 1233537.326 417737.507 486536.4429 584637.1095 57479.77392 71509.96764 343948.7133 817910.2888 610514.9086 708719.5774 445264.0232 615229.6279 574537.6591 464617.725 305988.0302 686894.7206 561122.6603 47258.91466 1685146.788 225703.6182 388023.9081 31741.90934 1866518.306 722369.9024 626065.3698 Threitol N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Thymidine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Thymine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A trans-Aconitic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A dTTP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A UDP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A UDP-N-acetylglucosamine N/A 45615.87812 3526.78414 136948.7779 6030.937673 24423.87789 21869.6787 9356.689734 14442.49631 136679.2111 210272.7794 N/A 51657.02124 234133.8031 59845.40041 20113.12434 12039.84933 175330.0739 32180.37327 9150.9515 N/A 55713.95273 7106.05973 4522.313276 34327.73952 188463.9074 16813.53635 13703.66649 6030.537892 6746.836723 N/A 50078.04916 26734.10471 22735.37558 32094.44671 15772.33596 3266.808724 4410.039831 177116.6516 5933.777374 6405.503856 N/A 51812.34717 8714.423044 30239.98077 92118.40246 203935.8102 51125.71441 47622.51197 3801.084501 N/A 51061.1162 5456.994573 25377.95871 8698.629258 69980.4091 21127.5552 161211.2099 141274.7588 N/A 42178.34794 58818.66739 113903.0237 32155.52446 28034.242 35743.00445 158968.6015 3643.363552 3487.639632 4865.584404 N/A 51587.09484 288248.872 11652.75768 37032.54297 6589.762179 265809.1575 179856.1402 N/A 46292.83481 22774.30655 16767.69876 60858.91754 71912.79087 6182.01761 17613.07936 N/A 51685.32301 UDP-glucose N/A 59568.31113 11197.94708 32899.30362 8973.930693 36653.59059 26414.41958 12246.29967 6428.425043 164660.5938 219044.6924 N/A 69363.90398 207002.6165 72352.37871 N/A 9147.0007 236326.9329 46635.68221 21700.60333 N/A 68621.80048 11457.82703 N/A 11273.02953 250555.6317 13930.73799 19440.23345 N/A N/A N/A 60577.86986 32304.90486 30610.31164 20323.7051 15485.37595 16083.26741 N/A 278900.9045 6737.547381 N/A N/A 60467.71328 8203.580321 50976.89325 114761.2842 348524.7883 101450.0545 67342.9285 N/A N/A 60051.68874 7064.373738 19543.83801 7844.044373 163086.5077 28342.96475 209591.183 128869.9187 N/A 61516.97441 98688.62166 282460.1496 11145.77793 12692.33234 43982.92169 143741.5228 N/A 11289.22536 18658.27767 N/A 61215.51477 514510.1209 43967.88457 28644.65621 N/A 428263.5104 465003.6183 N/A 54412.16115 81949.84666 N/A 15891.66163 85546.60697 N/A N/A N/A 64115.71394 Vanillylmandelic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Uracil 31464786.83 32344131.73 34791314.39 22340364.06 39163548.01 42532461.24 31799626.89 22866756.57 31051435.24 24914380.62 36479403.68 29386564.65 31951221.83 29048899.86 28086887.79 20019221.83 37107568.94 33841850.57 37490872.14 39410054.98 29132024.59 31922917.82 30478673.73 34956485.49 23211887.84 36140388.73 24841047.25 34025810.13 37007610.09 26884290.26 29389131.42 31431203.11 36760414.22 30846689.55 27488540.17 24168411.84 35806238.69 28711887.59 52105712.57 28649249.97 40474024.08 31163837.98 32625900.37 23889254.21 26700261.53 22208735.78 50370787.05 36689703.19 26217742.77 29442276.21 29858416.7 32528273.05 32143138.93 22935789.3 34815950.83 35452310.88 31927270.72 30742140.12 28102690.92 28927049.29 31742031.17 30695928.28 26823216.16 47012653.15 34385168.64 28011373.63 41875849.07 13583766.68 26365474.71 16453634.86 30394191.43 31693391.81 37429375.37 32389383.91 36758376.59 28049380.22 25343322.59 31791997.68 26504304.05 29591084.27 21833171.33 34569632.57 40199948.52 30269047.33 31376106.6 30938588.47 29036643.08 29685697.23 Uric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Xanthine 1920606.502 469591.4502 289880.4852 497113.0927 352005.1731 314014.7067 4158694.484 283182.4749 477557.6275 815926.0631 454071.788 1755928.809 482703.5051 277289.2286 249862.261 307032.9457 277653.0257 368380.5585 323224.5793 352410.4626 1586848.174 497281.1788 496596.6894 267100.0326 346312.4068 604230.9916 334552.5858 417464.0994 390330.7896 254183.6815 1678476.503 488360.5002 363274.9035 204103.1721 663692.113 195496.8856 267305.4418 275159.0068 405570.9111 2057048.359 602494.0784 1639822.722 481535.3254 377221.7849 516581.0714 506443.6023 455956.1415 636001.8407 378064.7325 383480.9232 1629894.191 475042.5826 320010.7639 577718.0698 351098.402 202457.4741 205381.8372 224723.8609 338632.0452 1503632.953 476394.4577 472571.846 5561906.3 370634.8338 411489.3545 401859.102 707103.9166 169691.0762 312747.5875 296736.2796 1647520.808 459062.9709 364583.1681 624578.6871 362528.5997 354145.3614 316014.3823 307603.1532 1418285.986 457083.8526 211400.0298 336115.7333 391955.6977 248631.3118 392205.234 230108.8772 1559237.158 476751.0138 Xanthosine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Xanthurenic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A L-Xylonic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Xylose N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name REFMET_ID HMDB ID Plasma MS Compounds Formula Exact mass Super class Main class Sub class Pubchem CID CHEBI_ID HMDB_ID LM_ID KEGG_ID INCHI_KEY REFMET_ID 2-Pyrocatechuic acid RM0041578 HMDB00397 "2,3-Dihydroxybenzoic Acid (153.0 / 109.0 (2))" C7H6O4 154.0266 Benzenoids Benzenes Hydroxybenzoic acids 19 18026 HMDB0000397 C00196 GLDQAMYCGOIJDV-UHFFFAOYSA-N RM0041578 Phosphoglyceric Acid RM0013474 HMDB0000362 2/3-Phosphoglyceric Acid (185.0 / 79.0) C3H7O7P 185.9929 Organic acids Short-chain acids Short-chain acids - - - - - - RM0013474 alpha-Aminoadipic acid RM0134983 HMDB00510 2-Aminoadipate (160.0 / 116.0) C6H11NO4 161.0688 Organic acids Amino acids and peptides Amino acids 469 37024 HMDB0302754 LMFA01170098 C00956 OYIFNHCXNCRBQI-UHFFFAOYSA-N RM0134983 2-Hydroxyglutaric acid RM0153554 HMDB59655 2-Hydroxyglutarate (147.0 / 129.0) C5H8O5 148.0372 Fatty Acyls Fatty acids Dicarboxylic acids 43 17084 HMDB0059655 LMFA01050483 C02630 HWXBTNAVRSUOJR-UHFFFAOYSA-N RM0153554 2-Hydroxyisobutyric acid RM0139716 HMDB00729 2-Hydroxyisobutyrate/2-Hydroxybutyrate (103.0 / 57.0) C4H8O3 104.0473 Fatty Acyls Fatty acids Hydroxy FA 11671 50129 HMDB0000729 LMFA01050417 BWLBGMIXKSTLSX-UHFFFAOYSA-N RM0139716 2-Hydroxy-3-methylbutyric acid RM0153673 HMDB00407 2-Hydroxyisovaleric Acid (117.0 / 71.0) C5H10O3 118.063 Fatty Acyls Fatty acids Hydroxy FA 853180 60631 HMDB0000407 LMFA01050390 NGEWQZIDQIYUNV-BYPYZUCNSA-N RM0153673 2-Hydroxyphenylacetic acid RM0133220 HMDB62635 2-Hydroxyphenylacetate (151.0 / 107.0) C8H8O3 152.0473 Organic acids Phenylpropanoids Cinnamic acids 11970 28478 HMDB0000669 C05852 CCVYRRGZDBSHFU-UHFFFAOYSA-N RM0133220 2-Isopropylmalic acid RM0153706 HMDB00402 2-isoPropylmalic Acid (175.0 / 115.0) C7H12O5 176.0685 Fatty Acyls Fatty acids Hydroxy FA 5280523 35128 HMDB0000402 LMFA01170083 C02504 BITYXLXUCSKTJS-ZETCQYMHSA-N RM0153706 2-Methylglutaric acid RM0074032 HMDB00422 2-Methylglutaric Acid (145.0 / 101.0 (3)) C6H10O4 146.0579 Fatty Acyls Fatty acids Dicarboxylic acids 12046 68567 HMDB0000422 LMFA01170084 AQYCMVICBNBXNA-UHFFFAOYSA-N RM0074032 3-Methyl pyruvic acid RM0153036 HMDB00005 2-Oxobutyrate (101.0 / 73.0) C4H6O3 102.0317 Fatty Acyls Fatty acids Oxo FA 58 30831 HMDB0000005 LMFA01060002 C00109 TYEYBOSBBBHJIV-UHFFFAOYSA-N RM0153036 Ketoleucine RM0135977 HMDB00695 2-oxo-Isocaproic Acid (129.0 / 85.0 (2)) C6H10O3 130.063 Organic acids Keto acids Short-chain keto acids 70 48430 HMDB0000695 C00233 BKAJNAXTPSGJCU-UHFFFAOYSA-N RM0135977 Desaminotyrosine RM0050309 HMDB02199 3-(4-Hydroxyphenyl)Propionate (165.0 / 121.0) C9H10O3 166.063 Organic acids Phenylpropanoids Cinnamic acids 10394 32980 HMDB0002199 C01744 NMHMNPHRMNGLLB-UHFFFAOYSA-N RM0050309 3-Hydroxyphenylacetic acid RM0135949 HMDB0000440/HMDB60390 3/4-Hydroxyphenylacetic Acid (151.1 / 107.0) C8H8O3 152.0473 Organic acids Phenylpropanoids Cinnamic acids 12122 17445 HMDB0000440 C05593 FVMDYYGIDFPZAX-UHFFFAOYSA-N RM0135949 3R-Hydroxybutyric acid RM0152271 HMDB0000011 3HBA (103.0 / 59.0) C4H8O3 104.0473 Fatty Acyls Fatty acids Hydroxy FA 92135 17066 HMDB0000011 LMFA01050243 C01089 WHBMMWSBFZVSSR-GSVOUGTGSA-N RM0152271 3-Hydroxyanthranilic acid RM0136103 HMDB01476 3-Hydroxyanthranilic Acid (152.0 / 108.0) C7H7NO3 153.0426 Benzenoids Benzenes Hydroxybenzoic acids 86 15793 HMDB0001476 C00632 WJXSWCUQABXPFS-UHFFFAOYSA-N RM0136103 trans-p-Coumaric acid RM0049546 HMDB02035 3-Hydroxycinnaminic Acid (163.0 / 119.0) C9H8O3 164.0473 Organic acids Phenylpropanoids Cinnamic acids 637542 32374 HMDB0002035 C00811 NGSWKAQJJWESNS-ZZXKWVIFSA-N RM0049546 3-Hydroxyisovaleric acid RM0152879 HMDB00754 3-Hydroxyisovaleric Acid (117.0 / 59.0) C5H10O3 118.063 Fatty Acyls Fatty acids Hydroxy FA 69362 37084 HMDB0000754 LMFA01050396 AXFYFNCPONWUHW-UHFFFAOYSA-N RM0152879 Hydroxypropionic acid RM0139419 HMDB00700 3-Hydroxypropionic Acid (89.0 / 59.0 (2)) C3H6O3 90.0317 Fatty Acyls Fatty acids Hydroxy FA RM0139419 Indoxyl sulfate RM0135976 HMDB00682 3-Indoxyl Sulfate (212.0 / 80.0) C8H7NO4S 213.0096 Alkaloids Tryptophan alkaloids Simple indole alkaloids 10258 43355 HMDB0000682 BXFFHSIDQOFMLE-UHFFFAOYSA-N RM0135976 Isopropylmalic acid RM0140414 HMDB12156 3-isoPropylmalic Acid (175.0 / 73.0) C7H12O5 176.0685 Fatty Acyls Fatty acids Hydroxy FA RM0140414 3-Hydroxymethylglutaric acid RM0155771 HMDB0000355 3-Methyl-3-Hydroxyglutaric Acid (161.0 / 99.0) C6H10O5 162.0528 Fatty Acyls Fatty acids Dicarboxylic acids 1662 16831 HMDB0000355 C03761 NPOAOTPXWNWTSH-UHFFFAOYSA-N RM0155771 3-Sulfino-alanine RM0136787 HMDB0000996 3-Sulfinoanaline (153.0 / 88.0) C3H7NO4S 153.0096 Organic acids Amino acids and peptides Amino acids 1549098 16345 HMDB0000996 C00606 ADVPTQAUNPRNPO-REOHCLBHSA-N RM0136787 4-Hydroxy-3-Nitrophenylacetate - HMDB62403 4-Hydroxy-3-Nitrophenylacetate (196.0 / 122.0) - - - - - - - - - - - - 4-Hydroxybenzoic acid RM0135960 HMDB00500 4-Hydroxybenzoic Acid (137.0 / 93.0) C7H6O3 138.0317 Benzenoids Benzenes Hydroxybenzoic acids 135 30763 HMDB0000500 C00156 FJKROLUGYXJWQN-UHFFFAOYSA-N RM0135960 4-Pyridoxic acid RM0030084 HMDB00017 4-Pyridoxic Acid (182.0 / 138.0) C8H9NO4 183.0532 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 6723 17405 HMDB0000017 C00847 HXACOUQIXZGNBF-UHFFFAOYSA-N RM0030084 5-Hydroxyindoleacetic acid RM0135989 HMDB00763 5-Hydroxyl-Indole-3-Acetic Acid (190.0 / 144.0) C10H9NO3 191.0582 Alkaloids Tryptophan alkaloids Indoleacetic acids 1826 27823 HMDB0000763 C05635 DUUGKQCEGZLZNO-UHFFFAOYSA-N RM0135989 5-Hydroxymethyl-2'-Deoxyuridine - N/A 5-Hydroxymethyl-2'-Deoxyuridine (257.2 / 214.0) - - - - - - - Ribothymidine RM0138932 HMDB00884 5-Methyluridine (257.1 / 42.0) C10H14N2O6 258.0852 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 445408 45996 HMDB0000884 DWRXFEITVBNRMK-JXOAFFINSA-N RM0138932 6-Phosphogluconic acid RM0155882 HMDB0001316 6-Phosphogluconic Acid (275.1 / 97.0) C6H13O10P 276.0246 Carbohydrates Monosaccharides Hexose phosphates 91493 48928 HMDB0001316 C00345 BIRSGZKFKXLSJQ-SQOUGZDYSA-N RM0155882 Acetylphosphate RM0136104 HMDB01494 Acetylphosphate (139.0 / 79.0) C2H5O5P 139.9875 Organic acids Organic phosphoric acids Phosphate esters 186 15350 HMDB0001494 C00227 LIPOUNRJVLNBCD-UHFFFAOYSA-N RM0136104 Adenine RM0049281 HMDB00034 Adenine (134.0 / 107.0) C5H5N5 135.0545 Nucleic acids Purines Aminopurines 190 16708 HMDB0000034 C00147 GFFGJBXGBJISGV-UHFFFAOYSA-N RM0049281 Adenylsuccinic acid RM0137319 HMDB00536 Adenylosuccinate (462.1 / 79.0) C14H18N5O11P 463.074 Nucleic acids Purines Purine rNMP 447145 15919 HMDB0000536 C03794 OFBHPPMPBOJXRT-VWJPMABRSA-N RM0137319 Adipic acid RM0149937 HMDB00448/HMDB00752 Adipic Acid / 3-Methylglutaric Acid (145.0 / 101.0) C6H10O4 146.0579 Fatty Acyls Fatty acids Dicarboxylic acids 196 30832 HMDB0000448 LMFA01170048 C06104 WNLRTRBMVRJNCN-UHFFFAOYSA-N RM0149937 ADP RM0032913 HMDB01341 ADP (426.2 / 134.0) C10H15N5O10P2 427.0294 Nucleic acids Purines Purine rNDP 6022 16761 HMDB0001341 C00008 XTWYTFMLZFPYCI-KQYNXXCUSA-N RM0032913 Allantoin RM0118303 HMDB00462 Allantoin (157.0 / 114.0) C4H6N4O3 158.044 Organoheterocyclic compounds Cyclic ureas Ureides 439714 15678 HMDB0000462 POJWUDADGALRAB-SFOWXEAESA-N RM0118303 Allopurinol RM0032940 HMDB14581 Allopurinol (135.0 / 64.0) C5H4N4O 136.0385 Nucleic acids Pyrimidines Other pyrimidines 135401907 40279 HMDB0014581 OFCNXPDARWKPPY-UHFFFAOYSA-N RM0032940 2-Oxoglutaric acid RM0135911 HMDB00208 Alpha-Ketoglutaric Acid (145.0 / 101.0 (2)) C5H6O5 146.0215 Organic acids TCA acids TCA acids 51 30915 HMDB0000208 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N RM0135911 Phenylglyoxylic acid RM0136116 HMDB0001587 alpha-Ketophenylacetic Acid (149.0 / 77.0) C8H6O3 150.0317 Benzenoids Phenylacetic acids Phenylacetic acids 11915 18280 HMDB0001587 C02137 FAQJJMHZNSSFSM-UHFFFAOYSA-N RM0136116 alpha-Tocopherol RM0135430 HMDB01893 alpha-Tocopherol (429.2 / 163.0) C29H50O2 430.3811 Prenol Lipids Quinones and hydroquinones Vitamin E 14985 18145 HMDB0001893 LMPR02020001 C02477 GVJHHUAWPYXKBD-IEOSBIPESA-N RM0135430 AMP RM0138921 HMDB00045 AMP (346.2 / 79.0) C10H14N5O7P 347.0631 Nucleic acids Purines Purine rNMP 6083 16027 HMDB0000045 C00020 UDMBCSSLTHHNCD-KQYNXXCUSA-N RM0138921 2-Aminobenzoic acid RM0013238 HMDB01123 Anthranilic Acid (136.0 / 92.0) C7H7NO2 137.0477 Benzenoids Benzenes Aminobenzoic acids 227 30754 HMDB0001123 C00108 RWZYAGGXGHYGMB-UHFFFAOYSA-N RM0013238 Arabitol RM0135975 HMDB00568 Arabitol/Xylitol (151.0 / 89.0) C5H12O5 152.0685 Carbohydrates Monosaccharides Sugar alcohols 94154 18333 HMDB0000568 C01904 HEBKCHPVOIAQTA-QWWZWVQMSA-N RM0135975 Arachidonic acid RM0153612 HMDB60102 Arachidonate (303.2 / 259.0) C20H32O2 304.2402 Fatty Acyls Fatty acids Unsaturated FA 444899 15843 HMDB0001043 LMFA01030001 C00219 YZXBAPSDXZZRGB-DOFZRALJSA-N RM0153612 Vitamin C RM0118068 HMDB00044 Ascorbic Acid (Vit. C) (175.0 / 87.0) C6H8O6 176.0321 Organoheterocyclic compounds Lactones Gamma butyrolactones 54670067 29073 HMDB0000044 C00072 CIWBSHSKHKDKBQ-JLAZNSOCSA-N RM0118068 ATP RM0138930 HMDB00538 ATP (506.1 / 79.0) C10H16N5O13P3 506.9958 Nucleic acids Purines Purine rNTP 5957 15422 HMDB0000538 C00002 ZKHQWZAMYRWXGA-KQYNXXCUSA-N RM0138930 Azelaic acid RM0153048 HMDB00784 Azelaic Acid (187.0 / 125.0) C9H16O4 188.1049 Fatty Acyls Fatty acids Dicarboxylic acids 2266 48131 HMDB0000784 LMFA01170054 C08261 BDJRBEYXGGNYIS-UHFFFAOYSA-N RM0153048 Muricholic acid RM0159931 HMDB00865 beta-Muricholic Acid (407.2 / 371.0) C24H40O5 408.2876 Sterol Lipids Bile acids C24 Bile acids 119473 134216 HMDB0000865 DKPMWHFRUGMUKF-JDDNAIEOSA-N RM0159931 Biotin RM0028735 HMDB00030 Biotin (243.2 / 200.0) C10H16N2O3S 244.0882 Organoheterocyclic compounds Heterocyclic compounds Biotins 171548 15956 HMDB0000030 C00120 YBJHBAHKTGYVGT-ZKWXMUAHSA-N RM0028735 "3',5' cyclic GMP" RM0159092 HMDB01314 cGMP (344.0 / 150.0) C10H12N5O7P 345.0474 Nucleic acids Purines Purine rNMP 135398570 16356 HMDB0001314 C00942 ZOOGRGPOEVQQDX-UUOKFMHZSA-N RM0159092 Chenodeoxycholic acid RM0135803 HMDB00518 Chenodeoxycholate (391.2 / 373.0) C24H40O4 392.2927 Sterol Lipids Bile acids C24 Bile acids 10133 16755 HMDB0000518 LMST04010032 C02528 RUDATBOHQWOJDD-BSWAIDMHSA-N RM0135803 Cholesterol sulfate RM0135845 HMDB00653 Cholesteryl Sulfate (465.2 / 97.0) C27H46O4S 466.3117 Sterol Lipids Sterols Cholesterols 65076 41321 HMDB0000653 LMST05020016 C18043 BHYOQNUELFTYRT-DPAQBDIFSA-N RM0135845 Cholic acid RM0135798 HMDB00619 Cholic Acid (407.3 / 343.0) C24H40O5 408.2876 Sterol Lipids Bile acids C24 Bile acids 221493 16359 HMDB0000619 LMST04010001 C00695 BHQCQFFYRZLCQQ-OELDTZBJSA-N RM0135798 cis-Aconitic acid RM0021619 HMDB00072 cis-Aconitate (173.0 / 85.0 (2)) C6H6O6 174.0164 Organic acids TCA acids TCA acids 643757 32805 HMDB0000072 C00417 GTZCVFVGUGFEME-IWQZZHSRSA-N RM0021619 Citraconic acid RM0153097 HMDB00634 Citraconic Acid (129.0 / 85.0) C5H6O4 130.0266 Fatty Acyls Fatty acids Dicarboxylic acids 643798 17626 HMDB0000634 LMFA01170099 C02226 HNEGQIOMVPPMNR-IHWYPQMZSA-N RM0153097 Citramalic acid RM0042389 HMDB0000426 Citramalic Acid (147.0 / 87.0) C5H8O5 148.0372 Organic acids Hydroxy acids Beta hydroxy acids 441696 29003 HMDB0000426 C00815 XFTRTWQBIOMVPK-YFKPBYRVSA-N RM0042389 Citric acid RM0135884 HMDB00094 Citric Acid (191.0 / 112.0) C6H8O7 192.027 Organic acids TCA acids TCA acids 311 30769 HMDB0000094 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N RM0135884 Citrulline RM0136022 HMDB00904 Citrulline (174.0 / 131.0) C6H13N3O3 175.0957 Organic acids Amino acids and peptides Amino acids 9750 16349 HMDB0000904 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N RM0136022 CMP RM0138923 HMDB00095 CMP (322.1 / 97.0) C9H14N3O8P 323.0519 Nucleic acids Pyrimidines Pyrimidine rNMP 6131 17361 HMDB0000095 C00055 IERHLVCPSMICTF-XVFCMESISA-N RM0138923 Cortisol RM0135767 HMDB0000063 Cortisol (361.2 / 331.0) C21H30O5 362.2093 Sterol Lipids Steroids C21 Steroids 5754 17650 HMDB0000063 LMST02030001 C00735 JYGXADMDTFJGBT-VWUMJDOOSA-N RM0135767 CTP RM0135881 HMDB00082 CTP (482.2 / 159.0) C9H16N3O14P3 482.9845 Nucleic acids Pyrimidines Pyrimidine rNTP 6176 17677 HMDB0000082 C00063 PCDQPRRSZKQHHS-XVFCMESISA-N RM0135881 Cystathionine RM0135885 HMDB00099 Cystathionine (221.0 / 134.0) C7H14N2O4S 222.0674 Organic acids Amino acids and peptides Amino acids 439258 17482 HMDB0000099 C02291 ILRYLPWNYFXEMH-WHFBIAKZSA-N RM0135885 Cysteine-S-sulfate RM0041317 HMDB00731 Cysteine-S-Sulfate (200.0 / 136.0) C3H7NO5S2 200.9766 Organic acids Amino acids and peptides Amino acids 115015 27891 HMDB0000731 C05824 NOKPBJYHPHHWAN-REOHCLBHSA-N RM0041317 dATP RM0028587 HMDB0001532 DATP (490.2 / 159.0) C10H16N5O12P3 491.0008 Nucleic acids Purines Purine dNTP 15993 16284 HMDB0001532 C00131 SUYVUBYJARFZHO-RRKCRQDMSA-N RM0028587 dCDP RM0042981 HMDB01245 DCDP (386.2 / 159.0) C9H15N3O10P2 387.0233 Nucleic acids Pyrimidines Pyrimidine dNDP 150855 28846 HMDB0001245 C00705 FTDHDKPUHBLBTL-SHYZEUOFSA-N RM0042981 dCMP RM0136074 HMDB01202 DCMP (306.1 / 110.0) C9H14N3O7P 307.0569 Nucleic acids Pyrimidines Pyrimidine dNMP 13945 15918 HMDB0001202 C00239 NCMVOABPESMRCP-SHYZEUOFSA-N RM0136074 dCTP RM0136028 HMDB0000998 dCTP (466.2 / 79.0) C9H16N3O13P3 466.9896 Nucleic acids Pyrimidines Pyrimidine dNTP 65091 16311 HMDB0000998 C00458 RGWHQCVHVJXOKC-SHYZEUOFSA-N RM0136028 Deoxycholic acid RM0126048 HMDB00626 Deoxycholic Acid (391.1 / 343.0) C24H40O4 392.2927 Sterol Lipids Bile acids C24 Bile acids 222528 28834 HMDB0000626 LMST04010040 C04483 KXGVEGMKQFWNSR-LLQZFEROSA-N RM0126048 Dihydroxyacetone phosphate RM0115777 HMDB01473 DHAP/D-GA3P (169.0 / 97.0) C3H7O6P 169.998 Organic acids Short-chain acids Short-chain acids 668 16108 HMDB0001473 C00111 GNGACRATGGDKBX-UHFFFAOYSA-N RM0115777 D-Leucic acid RM0153385 HMDB00624 D-Leucic Acid (131.0 / 85.0) C6H12O3 132.0786 Fatty Acyls Fatty acids Hydroxy FA 439960 55534 HMDB0000624 LMFA01050402 C03264 LVRFTAZAXQPQHI-RXMQYKEDSA-N RM0153385 Dopamine RM0135878 HMDB00073 Dopamine (152.0 / 122.0) C8H11NO2 153.079 Alkaloids Tyrosine alkaloids Phenylethylamines 681 18243 HMDB0000073 C03758 VYFYYTLLBUKUHU-UHFFFAOYSA-N RM0135878 dTMP RM0156978 HMDB01227 DTMP (321.1 / 79.0) C10H15N2O8P 322.0566 Nucleic acids Pyrimidines Pyrimidine dNMP 9700 17013 HMDB0001227 C00364 GYOZYWVXFNDGLU-XLPZGREQSA-N RM0156978 dUMP RM0136095 HMDB01409 DUMP (307.1 / 195.0) C9H13N2O8P 308.041 Nucleic acids Pyrimidines Pyrimidine dNMP 65063 17622 HMDB0001409 C00365 JSRLJPSBLDHEIO-SHYZEUOFSA-N RM0136095 dUTP RM0136070 HMDB01191 DUTP (467.2 / 159.0) C9H15N2O14P3 467.9736 Nucleic acids Pyrimidines Pyrimidine dNTP 65070 17625 HMDB0001191 C00460 AHCYMLUZIRLXAA-SHYZEUOFSA-N RM0136070 Erythronic acid RM0041611 HMDB00613/HMDB000943 Erythronic/Threonic Acid (135.0 / 75.0) C4H8O5 136.0372 Carbohydrates Monosaccharides Sugar acids 2781043 37655 HMDB0000613 JPIJQSOTBSSVTP-PWNYCUMCSA-N RM0041611 Erythrose RM0171550 HMDB02649 Erythrose (119.0 / 71.0) C4H8O4 120.0423 Carbohydrates Monosaccharides Tetroses 94176 27904 HMDB0002649 C01796 YTBSYETUWUMLBZ-IUYQGCFVSA-N RM0171550 Erythrose 4-phosphate RM0155934 HMDB01321 Erythrose-4-Phosphate (199.0 / 97.0) C4H9O7P 200.0086 Carbohydrates Monosaccharides Monosaccharide phosphates 122357 48153 HMDB0001321 C00279 NGHMDNPXVRFFGS-IUYQGCFVSA-N RM0155934 Ethylmalonic acid RM0153926 HMDB00622 Ethylmalonic acid (131.0 / 87.0 (3)) C5H8O4 132.0423 Fatty Acyls Fatty acids Dicarboxylic acids 11756 741548 HMDB0000622 LMFA01170105 UKFXDFUAPNAMPJ-UHFFFAOYSA-N RM0153926 "Fructose 1,6-bisphosphate" RM0109018 HMDB01058/HMDB01047/HMDB03514 F16BP/F26BP/G16BP (339.1 / 79.0) C6H14O12P2 339.9961 Carbohydrates Monosaccharides Hexose phosphates 172313 37736 HMDB0001058 C00354 RNBGYGVWRKECFJ-VRPWFDPXSA-N RM0109018 Fructose RM0136734 HMDB00660 Fructose (179.0 / 89.0 (3)) C6H12O6 180.0634 Carbohydrates Monosaccharides Hexoses 2723872 37714 HMDB0062538 C00095 LKDRXBCSQODPBY-VRPWFDPXSA-N RM0136734 Fumaric acid RM0135891 HMDB00134 Fumaric Acid (115.0 / 71.0) C4H4O4 116.011 Organic acids TCA acids TCA acids 444972 18012 HMDB0000134 C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N RM0135891 Glucose 1-phosphate RM0034128 HMDB01586/HMDB01076/HMDB00124 G1P/F1P/F6P (259.2 / 97.0) C6H13O9P 260.0297 Carbohydrates Monosaccharides Hexose phosphates 65533 29042 HMDB0001586 C00103 HXXFSFRBOHSIMQ-VFUOTHLCSA-N RM0034128 Glucose 6-phosphate RM0136106 HMDB0001401 G6P (259.1 / 97.0) C6H13O9P 260.0297 Carbohydrates Monosaccharides Hexose phosphates 5958 4170 HMDB0001401 C00092 NBSCHQHZLSJFNQ-GASJEMHNSA-N RM0136106 gamma-Aminobutyric acid RM0153263 HMDB0000112 gamma-Aminobutyrate (102.0 / 84.0) C4H9NO2 103.0633 Fatty Acyls Fatty acids Amino FA 119 16865 HMDB0000112 LMFA01100039 C00334 BTCSSZJGUNDROE-UHFFFAOYSA-N RM0153263 gamma-Tocopherol RM0157563 HMDB01492 gamma-Tocopherol (415.2 / 149.0) C28H48O2 416.3654 Prenol Lipids Quinones and hydroquinones Vitamin E 92729 18185 HMDB0001492 LMPR02020065 C02483 QUEDXNHFTDJVIY-DQCZWYHMSA-N RM0157563 GDP RM0033168 HMDB01201 GDP (442.2 / 159.0) C10H15N5O11P2 443.0243 Nucleic acids Purines Purine rNDP 135398619 17552 HMDB0001201 C00035 QGWNDRXFNXRZMB-UUOKFMHZSA-N RM0033168 Gentisic acid RM0050559 HMDB00152 Gentisate (153.0 / 108.0) C7H6O4 154.0266 Benzenoids Benzenes Hydroxybenzoic acids 3469 17189 HMDB0000152 C00628 WXTMDXOMEHJXQO-UHFFFAOYSA-N RM0050559 Geranyl diphosphate RM0158253 HMDB01285 Geranyl Pyrophosphate (313.1 / 79.0) C10H20O7P2 314.0684 Prenol Lipids Isoprenoids C10 isoprenoids 445995 17211 HMDB0001285 LMPR0102010001 C00341 GVVPGTZRZFNKDS-JXMROGBWSA-N RM0158253 Gibberellin A3 RM0138848 HMDB03559 Gibberellin (345.2 / 143.0) C19H22O6 346.1416 Prenol Lipids Isoprenoids C20 isoprenoids 439551 28833 HMDB0003559 LMPR0104170002 C01699 IXORZMNAPKEEDV-OBDJNFEBSA-N RM0138848 Glucuronic acid RM0155912 HMDB00127 Glucoronate (193.0 / 73.0) C6H10O7 194.0427 Carbohydrates Monosaccharides Sugar acids 94715 47952 HMDB0000127 C00191 AEMOLEFTQBMNLQ-AQKNRBDQSA-N RM0155912 Glucosamine 6-phosphate RM0136090 HMDB0001254 Glucosamine-6-Phosphate (258.1 / 97.0) C6H14NO8P 259.0457 Carbohydrates Monosaccharides Amino sugars 439217 15873 HMDB0001254 C00352 XHMJOUIAFHJHBW-UKFBFLRUSA-N RM0136090 Glucose RM0135901 HMDB00122 Glucose (179.0 / 89.0) C6H12O6 180.0634 Carbohydrates Monosaccharides Hexoses 5793 4167 HMDB0304632 C00031 WQZGKKKJIJFFOK-GASJEMHNSA-N RM0135901 Glutaric acid RM0155778 HMDB00661 Glutaric Acid (131.0 / 87.0) C5H8O4 132.0423 Fatty Acyls Fatty acids Dicarboxylic acids 743 17859 HMDB0000661 C00489 JFCQEDHGNNZCLN-UHFFFAOYSA-N RM0155778 Glyceraldehyde RM0034698 HMDB01051 Glyceraldehyde (89.0 / 59.0) C3H6O3 90.0317 Carbohydrates Monosaccharides Trioses 79014 17378 HMDB0001051 MNQZXJOMYWMBOU-VKHMYHEASA-N RM0034698 Glyceric acid RM0135902 HMDB00139 Glycerate (105.0 / 75.0) C3H6O4 106.0266 Carbohydrates Monosaccharides Sugar acids 439194 32398 HMDB0000139 C00258 RBNPOMFGQQGHHO-UWTATZPHSA-N RM0135902 sn-Glycero-3-phosphate RM0160118 HMDB00126 Glycerol-3-P (171.0 / 79.0) C3H9O6P 172.0137 Organic acids Organic phosphoric acids Organic phosphoric acids 439162 15978 HMDB0000126 C00093 AWUCVROLDVIAJX-GSVOUGTGSA-N RM0160118 Glycochenodeoxycholic acid RM0135850 HMDB00637 Glycochenodeoxycholate (448.3 / 74.0) C26H43NO5 449.3141 Sterol Lipids Bile acids C24 Bile acids 12544 36274 HMDB0000637 LMST05030008 C05466 GHCZAUBVMUEKKP-GYPHWSFCSA-N RM0135850 Glycocholic acid RM0135849 HMDB00138 Glycocholate (464.3 / 74.0) C26H43NO6 465.309 Sterol Lipids Bile acids C24 Bile acids 10140 17687 HMDB0000138 LMST05030001 C01921 RFDAIACWWDREDC-FRVQLJSFSA-N RM0135849 Glycolic acid RM0136958 HMDB00115 Glycolic acid (75.0 / 47.0) C2H4O3 76.016 Fatty Acyls Fatty acids Hydroxy FA 757 17497 HMDB0000115 C00160 AEMRFAOFKBGASW-UHFFFAOYSA-N RM0136958 GTP RM0136084 HMDB01273 GTP (522.2 / 159.0) C10H16N5O14P3 522.9907 Nucleic acids Purines Purine rNTP 135398633 15996 HMDB0001273 C00044 XKMLYUALXHKNFT-UUOKFMHZSA-N RM0136084 Guanidoacetic acid RM0040234 HMDB00128 Guanidinoacetate (116.0 / 74.0 (2)) C3H7N3O2 117.0538 Organic acids Amino acids and peptides Amino acids 763 16344 HMDB0000128 C00581 BPMFZUMJYQTVII-UHFFFAOYSA-N RM0040234 Hippuric acid RM0135980 HMDB00714 Hippuric Acid (178.0 / 134.0) C9H9NO3 179.0582 Benzenoids Benzamides Hippuric acids 464 18089 HMDB0000714 C01586 QIAFMBKCNZACKA-UHFFFAOYSA-N RM0135980 Homogentisic acid RM0135890 HMDB00130 Homogentisate (167.0 / 123.0) C8H8O4 168.0423 Benzenoids Benzenes Hydroxybenzoic acids 780 44747 HMDB0000130 C00544 IGMNYECMUMZDDF-UHFFFAOYSA-N RM0135890 Homovanillic acid RM0042979 HMDB00118 Homovanilate (181.0 / 137.0) C9H10O4 182.0579 Benzenoids Benzenes Hydroxybenzoic acids 1738 545959 HMDB0000118 C05582 QRMZSPFSDQBLIX-UHFFFAOYSA-N RM0042979 Hydrocinnamic acid RM0028119 HMDB00764 Hydrocinnamic Acid (149.0 / 105.0) C9H10O2 150.0681 Organic acids Phenylpropanoids Cinnamic acids 107 28631 HMDB0000764 C05629 XMIIGOLPHOKFCH-UHFFFAOYSA-N RM0028119 Hypoxanthine RM0135895 HMDB00157 Hypoxanthine (135.0 / 92.0) C5H4N4O 136.0385 Nucleic acids Purines Hypoxanthines 135398638 17368 HMDB0000157 C00262 FDGQSTZJBFJUBT-UHFFFAOYSA-N RM0135895 IMP RM0000534 HMDB00175 IMP (347.2 / 79.0) C10H13N4O8P 348.0471 Nucleic acids Purines Purine rNMP 135398640 17202 HMDB0000175 C00130 GRSZFWQUAKGDAV-KQYNXXCUSA-N RM0000534 Indole-2-carboxylic acid RM0189436 HMDB02285 Indole-2-Carboxylic Acid (160.0 / 116.0 (3)) C9H7NO2 161.0477 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 72899 130363 HMDB0002285 HCUARRIEZVDMPT-UHFFFAOYSA-N RM0189436 Indoleacetic acid RM0135909 HMDB00197 Indole-3-Acetic Acid (174.0 / 130.0) C10H9NO2 175.0633 Alkaloids Tryptophan alkaloids Indoleacetic acids 802 16411 HMDB0000197 C00954 SEOVTRFCIGRIMH-UHFFFAOYSA-N RM0135909 Indole-3-carboxylic acid RM0040827 HMDB03320 Indole-3-Carboxylic Acid (160.0 / 116.0 (2)) C9H7NO2 161.0477 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 69867 24809 HMDB0003320 C19837 KMAKOBLIOCQGJP-UHFFFAOYSA-N RM0040827 Indolelactic acid RM0044363 HMDB00671 Indole-3-Lactate (204.0 / 158.0) C11H11NO3 205.0739 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 676158 55528 HMDB0000671 XGILAAMKEQUXLS-SNVBAGLBSA-N RM0044363 3-Indolepropionic acid RM0136180 HMDB02302 Indole-3-Propionate (188.0 / 59.0) C11H11NO2 189.079 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 3744 43580 HMDB0002302 GOLXRNDWAUTYKT-UHFFFAOYSA-N RM0136180 Indolepyruvic acid RM0028186 HMDB60484 IndolePyruvate (202.0 / 174.0) C11H9NO3 203.0582 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 803 29750 HMDB0060484 C00331 RSTKLPZEZYGQPY-UHFFFAOYSA-N RM0028186 Myo-inositol RM0136735 HMDB00211 Inositol (179.0 / 87.0) C6H12O6 180.0634 Organic oxygen compounds Alcohols and polyols Inositols 892 17268 HMDB0000211 C00137 CDAISMWEOUEBRE-GPIVLXJGSA-N RM0136735 Isovaleric acid RM0153214 HMDB00718/HMDB0001259 isoValeric Acid /4-Oxobutanoate/Acetoacetate (101.0 / 57.0) C5H10O2 102.0681 Fatty Acyls Fatty acids Branched FA 10430 28484 HMDB0000718 LMFA01020181 C08262 GWYFCOCPABKNJV-UHFFFAOYSA-N RM0153214 Itaconic acid RM0152814 HMDB02092 Itaconic Acid (129.0 / 85.0 (3)) C5H6O4 130.0266 Fatty Acyls Fatty acids Dicarboxylic acids 811 30838 HMDB0002092 LMFA01170063 C00490 LVHBHZANLOWSRM-UHFFFAOYSA-N RM0152814 Kynurenic acid RM0032431 HMDB0000715 Kynurenic Acid (188.0 / 144.0) C10H7NO3 189.0426 Alkaloids Anthranilic acid alkaloids Acridone alkaloids 3845 18344 HMDB0000715 C01717 HCZHHEIFKROPDY-UHFFFAOYSA-N RM0032431 Lactic acid RM0135904 HMDB00190 Lactate (89.0 / 43.0) C3H6O3 90.0317 Organic acids Short-chain acids Short-chain acids 107689 422 HMDB0000190 C00186 JVTAAEKCZFNVCJ-REOHCLBHSA-N RM0135904 Lactose RM0155925 HMDB00186 Lactose/Trehalose (341.1 / 161.0) C12H22O11 342.1162 Carbohydrates Disaccharides Disaccharides 440995 17716 HMDB0000186 C00243 GUBGYTABKSRVRQ-QKKXKWKRSA-N RM0155925 Linoleic acid RM0149976 HMDB00673 Linoleic Acid (279.1 / 261.1) C18H32O2 280.2402 Fatty Acyls Fatty acids Unsaturated FA 5280450 17351 HMDB0000673 LMFA01030120 C01595 OYHQOLUKZRVURQ-HZJYTTRNSA-N RM0149976 alpha-Linolenic acid RM0152834 HMDB01388 Linolenic Acid (277.1 / 259.1) C18H30O2 278.2246 Fatty Acyls Fatty acids Unsaturated FA 5280934 27432 HMDB0001388 LMFA01030152 C06427 DTOSIQBPPRVQHS-PDBXOOCHSA-N RM0152834 Mandelic acid RM0013328 HMDB00703 L-Mandelic Acid (151.0 / 107.0 (2)) C8H8O3 152.0473 Organic acids Phenylpropanoids Cinnamic acids 439616 32800 HMDB0000703 C01984 IWYDHOAUDWTVEP-ZETCQYMHSA-N RM0013328 Tartaric acid RM0155949 HMDB59916 L-Tartaric Acid (149.0 / 87.0) C4H6O6 150.0164 Carbohydrates Monosaccharides Sugar acids 444305 15671 HMDB0000956 C00898 FEWJPZIEWOKRBE-JCYAYHJZSA-N RM0155949 Malic acid RM0135894 HMDB00156 Malate (133.0 / 115.0) C4H6O5 134.0215 Organic acids TCA acids TCA acids 222656 30797 HMDB0000156 C00149 BJEPYKJPYRNKOW-REOHCLBHSA-N RM0135894 Maleic acid RM0153373 HMDB00176 Maleic Acid (115.0 / 71.0 (2)) C4H4O4 116.011 Fatty Acyls Fatty acids Dicarboxylic acids 444266 18300 HMDB0000176 C01384 VZCYOOQTPOCHFL-UPHRSURJSA-N RM0153373 Malondialdehyde RM0156013 HMDB06112 Malondialdehyde (71.0 / 41.0) C3H4O2 72.0211 Organic oxygen compounds Carbonyl compounds Other carbonyl compounds 10964 566274 HMDB0006112 C19440 WSMYVTOQOOLQHP-UHFFFAOYSA-N RM0156013 Malonic acid RM0153291 HMDB00691 Malonic Acid (103.0 / 41.0) C3H4O4 104.011 Fatty Acyls Fatty acids Dicarboxylic acids 867 30794 HMDB0000691 LMFA01170041 C00383 OFOBLEOULBTSOW-UHFFFAOYSA-N RM0153291 Mannitol RM0155938 HMDB00765 Mannitol (181.0 / 119.0) C6H14O6 182.079 Carbohydrates Monosaccharides Sugar alcohols 6251 16899 HMDB0000765 C00392 FBPFZTCFMRRESA-KVTDHHQDSA-N RM0155938 Mannose RM0135630 HMDB00169 Mannose (179.0 / 89.0 (2)) C6H12O6 180.0634 Carbohydrates Monosaccharides Hexoses 18950 4208 HMDB0000169 C00159 WQZGKKKJIJFFOK-QTVWNMPRSA-N RM0135630 Margaric acid RM0149933 HMDB02259 Margaric Acid (269.1 / 251.1) C17H34O2 270.2559 Fatty Acyls Fatty acids Saturated FA 10465 32365 HMDB0002259 LMFA01010017 KEMQGTRYUADPNZ-UHFFFAOYSA-N RM0149933 Melatonin RM0028432 HMDB01389 Melatonin (231.1 / 172.0) C13H16N2O2 232.1212 Alkaloids Tryptophan alkaloids Tryptamines 896 16796 HMDB0001389 C01598 DRLFMBDRBRZALE-UHFFFAOYSA-N RM0028432 Methylmalonic acid RM0152460 HMDB00202 Methylmalonate (117.0 / 73.0 (2)) C4H6O4 118.0266 Fatty Acyls Fatty acids Dicarboxylic acids 487 30860 HMDB0000202 LMFA01170118 C02170 ZIYVHBGGAOATLY-UHFFFAOYSA-N RM0152460 Methylsuccinic acid RM0134990 HMDB01844 MethylSuccinate (131.0 / 69.0) C5H8O4 132.0423 Fatty Acyls Fatty acids Dicarboxylic acids 10349 91315 HMDB0001844 LMFA01170119 WXUAQHNMJWJLTG-UHFFFAOYSA-N RM0134990 Mevalonic acid RM0153668 HMDB00227 Mevalonate (147.0 / 59.0) C6H12O4 148.0736 Fatty Acyls Fatty acids Hydroxy FA 439230 17710 HMDB0000227 LMFA01050352 C00418 KJTLQQUUPVSXIM-ZCFIWIBFSA-N RM0153668 3-Methoxy-4-hydroxyphenylethyleneglycol sulfate RM0135967 HMDB00559 MOPEG Sulfate (263.2 / 150.0) C9H12O7S 264.0304 Organic acids Organic sulfuric acids Arylsulfates 4183 137054 HMDB0000559 WUFPNASKMLJSND-UHFFFAOYSA-N RM0135967 Myristic acid RM0153483 HMDB0000806 Myristic Acid (227.2 / 209.1) C14H28O2 228.2089 Fatty Acyls Fatty acids Saturated FA 11005 28875 HMDB0000806 LMFA01010014 C06424 TUNFSRHWOTWDNC-UHFFFAOYSA-N RM0153483 N-Acetylalanine RM0135990 HMDB00766 N-Ac-Alanine (130.0 / 88.0) C5H9NO3 131.0582 Organic acids Amino acids and peptides Amino acids 88064 40992 HMDB0000766 KTHDTJVBEPMMGL-VKHMYHEASA-N RM0135990 N-Acetylaspartic acid RM0136005 HMDB00812 N-Acetyl-Aspartate (NAA) (174.0 / 88.0) C6H9NO5 175.0481 Organic acids Amino acids and peptides Amino acids 65065 21547 HMDB0000812 C01042 OTCCIMWXFLJLIA-BYPYZUCNSA-N RM0136005 N-Acetyl-Asp-Glu RM0027165 HMDB01067 N-Acetyl-Aspartyl-Glutamate (NAAG) (303.1 / 285.0) C11H16N2O8 304.0907 Organic acids Amino acids and peptides Dipeptides 71120 191259 HMDB0001067 C12270 OPVPGKGADVGKTG-NKWVEPMBSA-N RM0027165 N-Acetylglycine RM0135964 HMDB00532 N-AcetylGlycine (116.0 / 74.0) C4H7NO3 117.0426 Organic acids Amino acids and peptides Amino acids 10972 40410 HMDB0000532 OKJIRPAQVSHGFK-UHFFFAOYSA-N RM0135964 N-Acetylneuraminic acid RM0135920 HMDB00230 N-Acetylneuraminate (308.1 / 87.0) C11H19NO9 309.106 Carbohydrates Monosaccharides Sugar acids 445063 45744 HMDB0000230 C19910 SQVRNKJHWKZAKO-PFQGKNLYSA-N RM0135920 N-Acetylglutamic acid RM0136738 HMDB01138 N-Ac-Glutamate (188.0 / 128.1) C7H11NO5 189.0637 Organic acids Amino acids and peptides Amino acids 70914 17533 HMDB0001138 C00624 RFMMMVDNIPUKGG-YFKPBYRVSA-N RM0136738 N-Acetylglutamine RM0138125 HMDB06029 N-Ac-L-Glutamine (187.0 / 58.0) C7H12N2O4 188.0797 Organic acids Amino acids and peptides Amino acids 182230 21553 HMDB0006029 KSMRODHGGIIXDV-YFKPBYRVSA-N RM0138125 N-Acetylmethionine RM0161627 HMDB11745 N-Ac-Methionine (190.0 / 148.0) C7H13NO3S 191.0616 Organic acids Amino acids and peptides Amino acids 448580 21557 HMDB0011745 C02712 XUYPXLNMDZIRQH-LURJTMIESA-N RM0161627 N-Acetylphenylalanine RM0138929 HMDB00512 N-Ac-Phenylalanine (206.0 / 164.0) C11H13NO3 207.0895 Organic acids Amino acids and peptides Amino acids 74839 16259 HMDB0000512 C03519 CBQJSKKFNMDLON-JTQLQIEISA-N RM0138929 N-Acetyltryptophan RM0162118 HMDB13713 N-Ac-Tryptophan (245.1 / 203.0) C13H14N2O3 246.1004 Organic acids Amino acids and peptides Amino acids 700653 74640 HMDB0013713 DZTHIGRZJZPRDV-LBPRGKRZSA-N RM0162118 N-Acetyltyrosine RM0136012 HMDB00866 N-Ac-Tyrosine (222.0 / 180.0) C11H13NO4 223.0845 Organic acids Amino acids and peptides Amino acids 68310 21563 HMDB0000866 C01657 CAHKINHBCWCHCF-JTQLQIEISA-N RM0136012 NADH RM0136399 HMDB01487 NADH (664.2 / 79.0) C21H29N7O14P2 665.1248 Nucleic acids Nicotinamides Nicotinamide dinucleotides 439153 16908 HMDB0001487 C00004 BOPGDPNILDQYTO-NNYOXOHSSA-N RM0136399 NADP RM0133216 HMDB00217 NADP (743.2 / 620.5) C21H28N7O17P3 743.0755 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5885 44409 HMDB0304435 C00006 XJLXINKUBYWONI-NNYOXOHSSA-N RM0133216 Ureidopropionic acid RM0135867 HMDB00026 N-Carbamoyl-B-Alanine (131.1 / 88.0) C4H8N2O3 132.0535 Organic nitrogen compounds Organonitrogen compounds Ureas 111 18261 HMDB0000026 C02642 JSJWCHRYRHKBBW-UHFFFAOYSA-N RM0135867 N-Formylmethionine RM0136031 HMDB01015 n-Formylmethionine (176.0 / 47.0) C6H11NO3S 177.046 Organic acids Amino acids and peptides Amino acids 6995182 16552 HMDB0001015 C03145 PYUSHNKNPOHWEZ-RXMQYKEDSA-N RM0136031 Nicotinic acid RM0156700 HMDB01488 Nicotinic Acid (122.0 / 78.0) C6H5NO2 123.032 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 938 15940 HMDB0001488 C00253 PVNIIMVLHYAWGP-UHFFFAOYSA-N RM0156700 Isobutyrylglycine RM0048090 HMDB00730 n-isoButyrylglycine (144.0 / 74.0) C6H11NO3 145.0739 Organic acids Amino acids and peptides Amino acids 10855600 70979 HMDB0000730 DCICDMMXFIELDF-UHFFFAOYSA-N RM0048090 Isovalerylglycine RM0012553 HMDB00678 n-isoValerylglycine (158.0 / 74.0) C7H13NO3 159.0895 Organic acids Amino acids and peptides Amino acids 546304 70984 HMDB0000678 ZRQXMKMBBMNNQC-UHFFFAOYSA-N RM0012553 4-Hydroxyphenylpyruvic acid RM0020531 HMDB00707 OH-Phenylpyruvate (179.0 / 107.0) C9H8O4 180.0423 Organic acids Phenylpropanoids Cinnamic acids 979 15999 HMDB0000707 C01179 KKADPXVIOXHVKN-UHFFFAOYSA-N RM0020531 Phosphoethanolamine RM0060581 HMDB0000224 o-Phosphoethanolamine (140.0 / 79.0) C2H8NO4P 141.0191 Organic acids Phosphate esters Phosphoethanolamines 1015 17553 HMDB0000224 C00346 SUHOOTKUPISOBE-UHFFFAOYSA-N RM0060581 Orotic acid RM0033030 HMDB00226 Orotate (155.0 / 111.0) C5H4N2O4 156.0171 Nucleic acids Pyrimidines Pyrimidine carboxylic acids 967 16742 HMDB0000226 C00295 PXQPEWDEAKTCGB-UHFFFAOYSA-N RM0033030 Oxaloacetic acid RM0134987 HMDB00223 Oxalacetate (131.0 / 87.0 (2)) C4H4O5 132.0059 Organic acids TCA acids TCA acids 970 30744 HMDB0000223 LMFA01170120 C00036 KHPXUQMNIQBQEV-UHFFFAOYSA-N RM0134987 Oxidized glutathione RM0139022 HMDB03337 Oxidized Glutathione (611.2 / 306.0) C20H32N6O12S2 612.152 Organic acids Amino acids and peptides Tripeptides 65359 17858 HMDB0003337 C00127 YPZRWBKMTBYPTK-BJDJZHNGSA-N RM0139022 Oxypurinol RM0156424 HMDB00786 Oxypurinol (151.0 / 42.0) C5H4N4O2 152.0334 Nucleic acids Purines Xanthines 135398752 28315 HMDB0000786 C07599 HXNFUBHNUDHIGC-UHFFFAOYSA-N RM0156424 Palmitic acid RM0153571 HMDB0000220 Palmitic Acid (255.1 / 237.0) C16H32O2 256.2402 Fatty Acyls Fatty acids Saturated FA 985 15756 HMDB0000220 LMFA01010001 C00249 IPCSVZSSVZVIGE-UHFFFAOYSA-N RM0153571 trans-m-Coumaric acid RM0136110 HMDB01713 p-Coumaric Acid (163.0 / 119.0 (2)) C9H8O3 164.0473 Organic acids Phenylpropanoids Cinnamic acids 637541 32357 HMDB0001713 C12621 KKSDGJDHHZEWEP-SNAWJCMRSA-N RM0136110 Pantothenic acid RM0136730 HMDB00210 Pentothenate (218.0 / 88.0) C9H17NO5 219.1107 Organic acids Amino acids and peptides Amino acids 6613 46905 HMDB0000210 LMFA08020419 GHOKWGTUZJEAQD-ZETCQYMHSA-N RM0136730 Phosphoenolpyruvic acid RM0060576 HMDB00263 PEP (167.0 / 79.0) C3H5O6P 167.9824 Organic acids Short-chain acids Short-chain acids 1005 44897 HMDB0000263 C00074 DTBNBXWJWCWCIK-UHFFFAOYSA-N RM0060576 PGE2 RM0153758 HMDB0001220 PGE (351.2 / 315.1) C20H32O5 352.225 Fatty Acyls Eicosanoids Prostaglandins 5280360 15551 HMDB0001220 LMFA03010003 C00584 XEYBRNLFEZDVAW-ARSRFYASSA-N RM0153758 Phenylacetic acid RM0029184 HMDB00209 Phenylacetic Acid (135.0 / 91.0) C8H8O2 136.0524 Organic acids Phenylpropanoids Cinnamic acids 999 30745 HMDB0000209 C07086 WLJVXDMOQOGPHL-UHFFFAOYSA-N RM0029184 alpha-N-Phenylacetylglutamine RM0056200 HMDB06344 Phenylacetylglutamine (263.1 / 145.0) C13H16N2O4 264.111 Organic acids Amino acids and peptides Amino acids 92258 17884 HMDB0006344 C04148 JFLIEFSWGNOPJJ-JTQLQIEISA-N RM0056200 Phenyllactic acid RM0012471 HMDB0000779 Phenyllactic Acid (165.0 / 147.0) C9H10O3 166.063 Organic acids Phenylpropanoids Cinnamic acids 444718 43065 HMDB0000563 VOXXWSYKYCBWHO-QMMMGPOBSA-N RM0012471 Phosphoadenosine Phosphosulfate - HMDB01134 Phosphoadenosine Phosphosulfate (506.2 / 426.0) - - - - - - - - - - - - Phosphoserine RM0135926 HMDB00272 Phosphoserine (184.0 / 79.0) C3H8NO6P 185.0089 Organic acids Amino acids and peptides Amino acids 68841 15811 HMDB0000272 C01005 BZQFBWGGLXLEPQ-REOHCLBHSA-N RM0135926 Picolinic acid RM0136177 HMDB0002243 Picolinic Acid (122.0 / 78.0 (2)) C6H5NO2 123.032 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1018 28747 HMDB0002243 C10164 SIOXPEMLGUPBBT-UHFFFAOYSA-N RM0136177 Phenylpyruvic acid RM0040766 HMDB00205 PPA (163.0 / 91.0) C9H8O3 164.0473 Organic acids Phenylpropanoids Cinnamic acids 997 30851 HMDB0000205 C00166 BTNMPGBKDVTSJY-UHFFFAOYSA-N RM0040766 Phosphoribosyl pyrophosphate RM0155969 HMDB00280 PRPP (389.2 / 177.0) C5H13O14P3 389.9518 Carbohydrates Monosaccharides Pentose phosphates 7339 17111 HMDB0000280 C00119 PQGCEDQWHSBAJP-TXICZTDVSA-N RM0155969 Pseudouridine RM0033386 HMDB00767 Pseudouridine (243.1 / 153.0) C9H12N2O6 244.0695 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 15047 17802 HMDB0000767 C02067 PTJWIQPHWPFNBW-GBNDHIKLSA-N RM0033386 Pyridoxal 5'-phosphate RM0156781 HMDB01491 Pyridoxal-5-P (246.1 / 97.0) C8H10NO6P 247.0246 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1051 18405 HMDB0001491 C00018 NGVDGCNFYWLIFO-UHFFFAOYSA-N RM0156781 Pyruvic acid RM0134967 HMDB00243 Pyruvate (87.0 / 43.0) C3H4O3 88.016 Organic acids Short-chain acids Short-chain acids 1060 32816 HMDB0000243 LMFA01060077 C00022 LCTONWCANYUPML-UHFFFAOYSA-N RM0134967 Quinolinic acid RM0135916 HMDB0000232 Quinolinic Acid (166.0 / 122.0) C7H5NO4 167.0219 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1066 16675 HMDB0000232 C03722 GJAWHXHKYYXBSV-UHFFFAOYSA-N RM0135916 Glutathione RM0135889 HMDB00125 Reduced Glutathione (306.1 / 143.1) C10H17N3O6S 307.0838 Organic acids Amino acids and peptides Tripeptides 124886 16856 HMDB0000125 C00051 RWSXRVCMGQZWBV-WDSKDSINSA-N RM0135889 Retinoic acid RM0135419 HMDB01852 Retinoic Acid (299.1 / 255.0) C20H28O2 300.2089 Prenol Lipids Isoprenoids Retinoids 444795 15367 HMDB0001852 LMPR01090019 C00777 SHGAZHPCJJPHSC-YCNIQYBTSA-N RM0135419 Ribose 5-phosphate RM0158596 HMDB01548 Ribose-5-P (229.1 / 79.0) C5H11O8P 230.0192 Carbohydrates Monosaccharides Pentose phosphates 439167 52742 HMDB0001548 C00117 KTVPXOYAKDPRHY-SOOFDHNKSA-N RM0158596 Ribulose 5-phosphate RM0020730 HMDB00618 Ribulose 5-Phosphate (229.2 / 97.0) C5H11O8P 230.0192 Carbohydrates Monosaccharides Pentose phosphates 439184 17363 HMDB0000618 C00199 FNZLKVNUWIIPSJ-UHNVWZDZSA-N RM0020730 Sedoheptulose 7-phosphate RM0155901 HMDB01068 Sedoheptulose 7-Phosphate (289.1 / 97.0) C7H15O10P 290.0403 Carbohydrates Monosaccharides Monosaccharide phosphates 165007 15721 HMDB0258206 C05382 JDTUMPKOJBQPKX-GBNDHIKLSA-N RM0155901 Shikimic acid RM0136206 HMDB03070 Shikimic Acid (173.0 / 93.0) C7H10O5 174.0528 Benzenoids Benzenes Hydroxybenzoic acids 8742 16119 HMDB0003070 C00493 JXOHGGNKMLTUBP-HSUXUTPPSA-N RM0136206 Sorbitol RM0155940 HMDB00247 Sorbitol (181.0 / 89.0) C6H14O6 182.079 Carbohydrates Monosaccharides Sugar alcohols 5780 17924 HMDB0000247 C00794 FBPFZTCFMRRESA-JGWLITMVSA-N RM0155940 Suberic acid RM0134985 HMDB00893 Suberic Acid (173.0 / 111.0) C8H14O4 174.0892 Fatty Acyls Fatty acids Dicarboxylic acids 10457 9300 HMDB0000893 LMFA01170001 C08278 TYFQFVWCELRYAO-UHFFFAOYSA-N RM0134985 Succinic acid RM0134982 HMDB00254 Succinate (117.0 / 73.0) C4H6O4 118.0266 Organic acids TCA acids TCA acids 1110 15741 HMDB0000254 LMFA01170043 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N RM0134982 Sucrose RM0159895 HMDB00258 Sucrose (341.2 / 59.0) C12H22O11 342.1162 Carbohydrates Disaccharides Disaccharides 5988 17992 HMDB0000258 C00089 CZMRCDWAGMRECN-UGDNZRGBSA-N RM0159895 Tauro-beta-muricholic acid RM0125951 HMDB00932 Tauro-alpha/beta-Muricholic Acid (514.2 / 80.0) C26H45NO7S 515.2917 Sterol Lipids Bile acids C24 Bile acids 21124703 133057 HMDB0000932 LMST05040012 XSOLDPYUICCHJX-UZUDEGBHSA-N RM0125951 Taurocholic acid RM0033602 HMDB00036 Taurocholate (514.5 / 80.0) C26H45NO7S 515.2917 Sterol Lipids Bile acids C24 Bile acids 6675 28865 HMDB0000036 LMST05040001 C05122 WBWWGRHZICKQGZ-HZAMXZRMSA-N RM0033602 Sapropterin RM0018304 HMDB00027 Tetrahydrobiopterin (240.1 / 59.0) C9H15N5O3 241.1175 Organoheterocyclic compounds Pterins Biopterins 135398654 59560 HMDB0000027 C00272 FNKQXYHWGSIFBK-RPDRRWSUSA-N RM0018304 Theophylline RM0136130 HMDB01889 Theophylline (179.1 / 164.0) C7H8N4O2 180.0647 Nucleic acids Purines Xanthines 2153 28177 HMDB0001889 C07130 ZFXYFBGIUFBOJW-UHFFFAOYSA-N RM0136130 Threitol RM0162751 HMDB04136 Threitol (121.0 / 71.0) C4H10O4 122.0579 Carbohydrates Monosaccharides Sugar alcohols 169019 48300 HMDB0004136 C16884 UNXHWFMMPAWVPI-QWWZWVQMSA-N RM0162751 Thymidine RM0135927 HMDB00273 Thymidine (241.1 / 42.0) C10H14N2O5 242.0903 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides 5789 17748 HMDB0000273 C00214 IQFYYKKMVGJFEH-XLPZGREQSA-N RM0135927 Thymine RM0040235 HMDB00262 Thymine (125.0 / 42.0) C5H6N2O2 126.0429 Nucleic acids Pyrimidines Other pyrimidines 1135 17821 HMDB0000262 C00178 RWQNBRDOKXIBIV-UHFFFAOYSA-N RM0040235 trans-Aconitic acid RM0118176 HMDB00958 trans-Aconitate (173.0 / 85.0) C6H6O6 174.0164 Organic acids Carboxylic acids Tricarboxylic acids 444212 32806 HMDB0000958 C02341 GTZCVFVGUGFEME-HNQUOIGGSA-N RM0118176 dTTP RM0032432 HMDB0001342 TTP (481.2 / 159.0) C10H17N2O14P3 481.9893 Nucleic acids Pyrimidines Pyrimidine dNTP 64968 18077 HMDB0001342 C00459 NHVNXKFIZYSCEB-XLPZGREQSA-N RM0032432 UDP RM0135932 HMDB00295 UDP (403.2 / 79.0) C9H14N2O12P2 404.0022 Nucleic acids Pyrimidines Pyrimidine rNDP 6031 17659 HMDB0000295 C00015 XCCTYIAWTASOJW-XVFCMESISA-N RM0135932 UDP-N-acetylglucosamine RM0133219 HMDB00290 UDP-GlcNAc (606.2 / 385.0) C17H27N3O17P2 607.0816 Nucleic acids Pyrimidines Pyrimidine rNDP 445675 16264 HMDB0000290 LMSL01010002 C00043 LFTYTUAZOPRMMI-CFRASDGPSA-N RM0133219 UDP-glucose RM0135928 HMDB00286 UDP-Glucose (565.2 / 323.0) C15H24N2O17P2 566.055 Nucleic acids Pyrimidines Pyrimidine rNDP 53477679 167608 HMDB0000286 C00029 HSCJRCZFDFQWRP-LPTOLDDLSA-N RM0135928 Vanillylmandelic acid RM0002833 HMDB00291 Vanilmandelic Acid (197.0 / 137.0) C9H10O5 198.0528 Organic acids Phenylpropanoids Cinnamic acids 736172 27622 HMDB0000291 C05584 CGQCWMIAEPEHNQ-QMMMGPOBSA-N RM0002833 Uracil RM0135934 HMDB00300 Uracil (111.0 / 42.0) C4H4N2O2 112.0273 Nucleic acids Pyrimidines Other pyrimidines 1174 17568 HMDB0000300 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N RM0135934 Uric acid RM0160856 HMDB00289 Urate (167.0 / 124.0) C5H4N4O3 168.0283 Nucleic acids Purines Xanthines 1175 17775 HMDB0000289 C00366 LEHOTFFKMJEONL-UHFFFAOYSA-N RM0160856 Xanthine RM0135930 HMDB00292 Xanthine (151.0 / 108.0) C5H4N4O2 152.0334 Nucleic acids Purines Xanthines 1188 17712 HMDB0000292 C00385 LRFVTYWOQMYALW-UHFFFAOYSA-N RM0135930 Xanthosine RM0161017 HMDB00299 Xanthosine (283.1 / 151.0) C10H12N4O6 284.0757 Nucleic acids Purines Purine ribonucleosides 64959 18107 HMDB0000299 UBORTCNDUKBEOP-UUOKFMHZSA-N RM0161017 Xanthurenic acid RM0032268 HMDB00881 Xanthurenic Acid (204.0 / 160.0) C10H7NO4 205.0375 Alkaloids Anthranilic acid alkaloids Acridone alkaloids 5699 10072 HMDB0000881 C02470 FBZONXHGGPHHIY-UHFFFAOYSA-N RM0032268 L-Xylonic acid RM0051121 HMDB60256 Xylonate (165.0 / 75.0) C5H10O6 166.0477 Carbohydrates Monosaccharides Sugar acids 6971043 48092 HMDB0060256 QXKAIJAYHKCRRA-NUNKFHFFSA-N RM0051121 Xylose RM0155911 HMDB00098 Xylose (149.0 / 75.0) C5H10O5 150.0528 Carbohydrates Monosaccharides Pentoses 135191 53455 HMDB0000098 C00181 SRBFZHDQGSBBOR-IOVATXLUSA-N RM0155911 METABOLITES_END #END