#METABOLOMICS WORKBENCH landerson_20250902_133100 DATATRACK_ID:6367 STUDY_ID:ST004166 ANALYSIS_ID:AN006915 PROJECT_ID:PR002626 VERSION 1 CREATED_ON September 3, 2025, 10:29 am #PROJECT PR:PROJECT_TITLE Distinct skeletal muscle metabolomic alterations are associated with physical PR:PROJECT_TITLE function, weight loss, and muscle mass in men with cancer PR:PROJECT_SUMMARY Treatments for cancer cachexia, defined as involuntary weight and muscle mass PR:PROJECT_SUMMARY loss leading to significant functional impairment, remain unavailable partly due PR:PROJECT_SUMMARY to insufficient improvement of clinically meaningful outcomes in current trials. PR:PROJECT_SUMMARY By reflecting downstream effects of cellular function, metabolomics may identify PR:PROJECT_SUMMARY mechanisms contributing to poor functional performance. Previous metabolomic PR:PROJECT_SUMMARY studies in cancer cachexia have identified alterations in amino acid metabolism PR:PROJECT_SUMMARY with weight loss or low muscularity; none have examined perturbations with poor PR:PROJECT_SUMMARY physical function. We hypothesized that distinct metabolic signals in plasma and PR:PROJECT_SUMMARY muscle are associated with weight loss, low muscle mass, and impaired function PR:PROJECT_SUMMARY in cancer cachexia. Our studies find that significant metabolomic alterations in PR:PROJECT_SUMMARY plasma and skeletal muscle characterized cancer-related weight loss and reduced PR:PROJECT_SUMMARY CSA, respectively. Nominal, function-specific alterations were detected with PR:PROJECT_SUMMARY worse HGS and SCP which were distinct from those associated with weight loss or PR:PROJECT_SUMMARY low CSA. Future larger studies may further characterize metabolomic profiles PR:PROJECT_SUMMARY related to various functional outcomes and guide development of therapeutic PR:PROJECT_SUMMARY targets to improve 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 skeletal muscle metabolomic alterations are associated with physical ST:STUDY_TITLE function, weight loss, and muscle mass in men with cancer ST:STUDY_SUMMARY We enrolled patients planning elective laparotomy for gastrointestinal or ST:STUDY_SUMMARY genitourinary cancer. Handgrip strength (HGS), stair climb power (SCP), and ST:STUDY_SUMMARY fasting plasma were collected within two weeks prior to surgery; rectus ST:STUDY_SUMMARY abdominis samples were obtained during surgery. Metabolomic perturbations ST:STUDY_SUMMARY associated with physical function (HGS, SCP), muscularity (lumbar ST:STUDY_SUMMARY cross-sectional area “CSA” from opportunistic CT), or weight loss (>5% over ST:STUDY_SUMMARY previous six months) were examined in plasma and muscle. The Mann-Whitney U-test ST:STUDY_SUMMARY compared metabolite abundance between weight-losing and weight-stable patients ST:STUDY_SUMMARY while Spearman’s correlation tested associations of abundance with CSA, HGS, ST:STUDY_SUMMARY or SCP. The “Globaltest” method assessed pathway alterations with weight ST:STUDY_SUMMARY loss, CSA, HGS, or SCP; the Benjamini-Hochberg adjustment was used to control ST:STUDY_SUMMARY for false discovery. Results: Patients (N=72) were male, median age 65 ST:STUDY_SUMMARY [interquartile range: 59-70], with 57% genitourinary cancer. Plasma and skeletal ST:STUDY_SUMMARY muscle metabolomic data were collected (N=64 and N=68, respectively). Weight ST:STUDY_SUMMARY loss was associated with significantly altered microbial, amino acid/derivative, ST:STUDY_SUMMARY fatty acid/lipid, and caffeine-related metabolism pathways in plasma (adjusted ST:STUDY_SUMMARY P<0.1). Lower CSA was associated with significantly altered fatty acid/lipid, ST:STUDY_SUMMARY galactose, glycerophospholipid, and histidine metabolism and bile secretion ST:STUDY_SUMMARY pathways in skeletal muscle (adjusted P<0.1). Worse HGS was nominally associated ST:STUDY_SUMMARY with altered plasma branched chain amino acid biosynthesis and altered skeletal ST:STUDY_SUMMARY muscle glutathione metabolism (unadjusted P≤0.05), while worse SCP was ST:STUDY_SUMMARY nominally associated with altered skeletal muscle amino sugar/nucleotide sugar ST:STUDY_SUMMARY metabolism and phenylalanine, tyrosine, and tryptophan biosynthesis (unadjusted ST:STUDY_SUMMARY P≤0.05). Conclusions: Significant metabolomic alterations in plasma and ST:STUDY_SUMMARY skeletal muscle characterized cancer-related weight loss and reduced CSA, ST:STUDY_SUMMARY respectively. Nominal, function-specific alterations were detected with worse ST:STUDY_SUMMARY HGS and SCP which were distinct from those associated with weight loss or low ST:STUDY_SUMMARY CSA. Future larger studies may further characterize metabolomic profiles related ST:STUDY_SUMMARY to various functional outcomes and guide development of therapeutic targets to ST:STUDY_SUMMARY improve 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(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#1_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#1_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#1 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#1_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#1_POS.mzML SUBJECT_SAMPLE_FACTORS - 1 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-1_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-1_POS.mzML SUBJECT_SAMPLE_FACTORS - 3 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-3_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-3_POS.mzML SUBJECT_SAMPLE_FACTORS - 5 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-5_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-5_POS.mzML SUBJECT_SAMPLE_FACTORS - 6 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-6_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-6_POS.mzML SUBJECT_SAMPLE_FACTORS - 7 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-7_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-7_POS.mzML SUBJECT_SAMPLE_FACTORS - 9 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-9_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-9_POS.mzML SUBJECT_SAMPLE_FACTORS - 10 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-10_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-10_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#2 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#2_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#2_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#2 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#2_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#2_POS.mzML SUBJECT_SAMPLE_FACTORS - 12 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-12_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-12_POS.mzML SUBJECT_SAMPLE_FACTORS - 13 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-13_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-13_POS.mzML SUBJECT_SAMPLE_FACTORS - 16 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-16_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-16_POS.mzML SUBJECT_SAMPLE_FACTORS - 17 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-17_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-17_POS.mzML SUBJECT_SAMPLE_FACTORS - 18 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-18_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-18_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#3 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#3_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#3_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#3 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#3_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#3_POS.mzML SUBJECT_SAMPLE_FACTORS - 21 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-21_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-21_POS.mzML SUBJECT_SAMPLE_FACTORS - 22 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-22_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-22_POS.mzML SUBJECT_SAMPLE_FACTORS - 23 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-23_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-23_POS.mzML SUBJECT_SAMPLE_FACTORS - 24 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-24_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-24_POS.mzML SUBJECT_SAMPLE_FACTORS - 25 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-25_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-25_POS.mzML SUBJECT_SAMPLE_FACTORS - 26 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-26_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-26_POS.mzML SUBJECT_SAMPLE_FACTORS - 27 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-27_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-27_POS.mzML SUBJECT_SAMPLE_FACTORS - 29 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-29_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-29_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#4 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#4_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#4_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#4 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#4_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#4_POS.mzML SUBJECT_SAMPLE_FACTORS - 31 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-31_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-31_POS.mzML SUBJECT_SAMPLE_FACTORS - 32 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-32_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-32_POS.mzML SUBJECT_SAMPLE_FACTORS - 33 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-33_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-33_POS.mzML SUBJECT_SAMPLE_FACTORS - 35 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-35_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-35_POS.mzML SUBJECT_SAMPLE_FACTORS - 36 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-36_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-36_POS.mzML SUBJECT_SAMPLE_FACTORS - 37 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-37_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-37_POS.mzML SUBJECT_SAMPLE_FACTORS - 38 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-38_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-38_POS.mzML SUBJECT_SAMPLE_FACTORS - 40 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-40_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-40_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#5 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#5_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#5_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#5 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#5_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#5_POS.mzML SUBJECT_SAMPLE_FACTORS - 41 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-41_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-41_POS.mzML SUBJECT_SAMPLE_FACTORS - 43 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-43_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-43_POS.mzML SUBJECT_SAMPLE_FACTORS - 45 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-45_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-45_POS.mzML SUBJECT_SAMPLE_FACTORS - 47 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-47_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-47_POS.mzML SUBJECT_SAMPLE_FACTORS - 48 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-48_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-48_POS.mzML SUBJECT_SAMPLE_FACTORS - 49 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-49_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-49_POS.mzML SUBJECT_SAMPLE_FACTORS - 50 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-50_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-50_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#6 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#6_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#6_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#6 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#6_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#6_POS.mzML SUBJECT_SAMPLE_FACTORS - 51 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-51_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-51_POS.mzML SUBJECT_SAMPLE_FACTORS - 52 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-52_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-52_POS.mzML SUBJECT_SAMPLE_FACTORS - 54 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-54_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-54_POS.mzML SUBJECT_SAMPLE_FACTORS - 56 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-56_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-56_POS.mzML SUBJECT_SAMPLE_FACTORS - 57 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-57_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-57_POS.mzML SUBJECT_SAMPLE_FACTORS - 58 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-58_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-58_POS.mzML SUBJECT_SAMPLE_FACTORS - 59 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-59_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-59_POS.mzML SUBJECT_SAMPLE_FACTORS - 60 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-60_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-60_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#7 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#7_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#7_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#7 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#7_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#7_POS.mzML SUBJECT_SAMPLE_FACTORS - 62 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-62_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-62_POS.mzML SUBJECT_SAMPLE_FACTORS - 63 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-63_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-63_POS.mzML SUBJECT_SAMPLE_FACTORS - 65 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-65_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-65_POS.mzML SUBJECT_SAMPLE_FACTORS - 66 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-66_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-66_POS.mzML SUBJECT_SAMPLE_FACTORS - 67 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-67_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-67_POS.mzML SUBJECT_SAMPLE_FACTORS - 68 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-68_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-68_POS.mzML SUBJECT_SAMPLE_FACTORS - 69 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-69_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-69_POS.mzML SUBJECT_SAMPLE_FACTORS - 70 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-70_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-70_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#8 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#8_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#8_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#8 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#8_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#8_POS.mzML SUBJECT_SAMPLE_FACTORS - 71 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-71_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-71_POS.mzML SUBJECT_SAMPLE_FACTORS - 72 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-72_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-72_POS.mzML SUBJECT_SAMPLE_FACTORS - 73 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-73_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-73_POS.mzML SUBJECT_SAMPLE_FACTORS - 74 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-74_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-74_POS.mzML SUBJECT_SAMPLE_FACTORS - 75 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-75_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-75_POS.mzML SUBJECT_SAMPLE_FACTORS - 76 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-76_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-76_POS.mzML SUBJECT_SAMPLE_FACTORS - 77 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-77_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-77_POS.mzML SUBJECT_SAMPLE_FACTORS - 79 Sample source:Muscle | Group:WeightLoss RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-79_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-79_POS.mzML SUBJECT_SAMPLE_FACTORS - 80 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-80_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-80_POS.mzML SUBJECT_SAMPLE_FACTORS - 81 Sample source:Muscle | Group:WeightStable RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-81_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-81_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#9 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#9_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(I)#9_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#9 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(NEG mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#9_NEG.mzML; RAW_FILE_NAME(POS mzZL file names)=2020-07-21_Garcia-Muscle_83-QC(S)#9_POS.mzML #COLLECTION CO:COLLECTION_SUMMARY Rectus abdominis biopsies (0.5–1.0 g) were collected via transverse incision CO:COLLECTION_SUMMARY and sharp dissection during laparotomies. Specimens were quickly and grossly CO:COLLECTION_SUMMARY dissected to remove cauterized edges or vascular tissue, then immediately flash CO:COLLECTION_SUMMARY frozen using liquid nitrogen and stored at −80°C until analysis. CO:SAMPLE_TYPE Muscle #TREATMENT TR:TREATMENT_SUMMARY n/a #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Approximately 1.0 mg rectus abdominis was sent to the Northwest Metabolomics SP:SAMPLEPREP_SUMMARY Research Center at the University of Washington for performance of targeted SP:SAMPLEPREP_SUMMARY metabolomics. In brief, targeted liquid chromatography mass spectrometry using a SP:SAMPLEPREP_SUMMARY HILIC column to separate polar, aqueous metabolite analysis was performed. The SP:SAMPLEPREP_SUMMARY assay targets over 350 metabolites from more than 60 metabolic pathways using a SP:SAMPLEPREP_SUMMARY Sciex 6500+ platform and Aciex Analyst software for peak integration. All mass SP:SAMPLEPREP_SUMMARY spectrometry experiments also included blank samples run under identical SP:SAMPLEPREP_SUMMARY conditions to identify any signals arising from solvents/reagents/buffers that SP:SAMPLEPREP_SUMMARY may also affect batch-to-batch variation. Muscle metabolite abundance was SP:SAMPLEPREP_SUMMARY normalized to protein loading and expressed as relative concentration. #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 [0-1.5 min: 5% A , 95% B; 1.5-6 min: 5-30% A, 95-70% B; 6-10 min: 30% A - 70% B; CH:FLOW_GRADIENT 10-12 min: 30-55% A, 70-45 % B; 12-14 min: 55% A , 45% B; 14-15 min: 55-5% A, CH:FLOW_GRADIENT 45-95% B; 15-18 min: 5% A, 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 ion counts/second MS_METABOLITE_DATA_START Samples QC(I)#1 QC(S)#1 1 3 5 6 7 9 10 QC(I)#2 QC(S)#2 12 13 16 17 18 QC(I)#3 QC(S)#3 21 22 23 24 25 26 27 29 QC(I)#4 QC(S)#4 31 32 33 35 36 37 38 40 QC(I)#5 QC(S)#5 41 43 45 47 48 49 50 QC(I)#6 QC(S)#6 51 52 54 56 57 58 59 60 QC(I)#7 QC(S)#7 62 63 65 66 67 68 69 70 QC(I)#8 QC(S)#8 71 72 73 74 75 76 77 79 80 81 QC(I)#9 QC(S)#9 Factors Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | Group:WeightLoss Sample source:Muscle | Group:WeightStable Sample source:Muscle | 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 2261481.637 328909.6382 227646.2714 154273.104 416314.1858 721415.3451 299606.3849 347790.7478 33236.79255 404196.4789 95227.85882 511381.7375 1230423.928 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 1195577.361 280211.5903 335520.0807 594891.9469 348712.1655 170277.0914 279539.708 332550.3909 542714.1637 119377.4766 145288.4843 280663.2229 193653.8814 176758.3814 305703.9506 272584.5936 323640.2673 793273.107 670428.8327 156944.6375 675549.9517 197694.9242 235020.4453 67765.46791 572851.8338 267435.9194 314265.5724 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 580879.1705 102494.2744 761437.7115 88172.76573 207816.6463 371040.5376 233143.1082 334808.9303 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 alpha-Aminoadipic acid 93864.0574 61917.52839 85520.11749 132339.3587 85100.73182 38188.08672 111632.8013 72621.96206 46360.93484 95009.60562 79050.6214 79456.59074 55900.57251 124921.1421 79279.12956 102161.2753 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 60699.77359 34283.03166 60949.65793 49379.97387 114877.9092 138474.2973 87440.88404 82186.56938 76289.40987 69967.94876 60021.52926 100143.4361 99029.88334 60818.27856 84530.26783 87929.15736 76225.95007 81406.70037 99452.29742 164536.7041 98535.51193 58794.59344 28906.27315 124180.7776 65231.91354 82694.04798 64282.10078 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 72211.10102 52023.78473 69684.83507 67642.08599 77619.29618 74970.86651 83127.72602 74030.70274 2-Hydroxyglutaric acid 189829.2375 295622.9678 326055.0672 289958.7117 258713.787 263463.8004 239848.5098 273749.2443 339125.0239 191663.2549 299818.7035 277753.032 418837.9755 217192.3361 225833.3765 298479.722 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 261668.2957 370765.922 251986.1977 336768.1382 210641.5695 247763.6146 197673.3302 282040.7787 212842.4105 337260.432 224246.9569 249277.3931 301486.0858 248161.7649 295827.4993 183853.4756 272708.0146 279616.1074 305337.1414 246638.0819 237853.9632 247358.1757 251799.7003 257319.6059 240771.6694 178186.4889 272609.0138 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 277922.0357 290745.0325 278401.6684 229283.5122 286889.0451 208553.8505 180973.3589 255707.586 2-Hydroxyisobutyric acid 6328005.957 9147055.883 15925040.33 11407072.28 15060465.94 4782166.406 11878639.55 6468165.02 5118572.387 7145864.295 9584361.08 25632214.77 4779454.944 11258646.11 4649008.316 3739710.01 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 10625641.39 3748063.451 12648168.97 2795826.898 15796306.2 15793430.98 7394780.075 10262305.61 11532984.65 9368203.368 6558054.563 11657827.86 11990451.39 4366539.339 4581615.053 7446712.817 10304734.27 11034163.23 7562827.794 11359600.06 4175174.875 8647020.703 4452615.821 15200420.6 8432164.744 6851631.304 9720594.473 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 8302435.389 6888740.042 8036147.999 7457031.924 3097815.274 8458555.699 7132388.681 9836790.55 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 2-Hydroxyphenylacetic acid 45922.44318 82682.39829 20181.76627 55007.79121 118180.9295 43419.85199 74934.50176 92518.12229 35068.29746 46465.64818 81949.36132 68188.43431 31659.40558 67467.82448 49050.05639 149565.88 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 69405.77066 34201.41314 107133.0137 21172.57849 47380.87709 57963.6918 48548.06028 74907.07685 74343.03583 81968.85526 50992.69931 57297.52138 52982.92877 40784.40441 93374.2075 53055.82246 77942.93184 63628.2878 94982.40424 45637.89684 92390.71287 94392.74493 29936.33237 51131.00822 49540.11755 45859.69067 63332.21744 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 90226.52342 24551.83081 127397.7361 66817.39625 64869.23021 49326.19709 52312.97805 76543.48579 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 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 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 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 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 3-Aminoisobutanoic acid 72195.16084 69834.59715 N/A 58275.18255 60292.85384 46246.86114 41430.75223 49861.324 39495.04189 70604.79533 68920.27644 13266.38105 33497.63548 72981.49854 43608.25231 71040.85999 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 95365.92638 66796.68307 21782.98462 452675.8751 65631.19786 57001.43635 71559.11167 80559.80111 40344.24194 81365.16741 377928.019 45556.62299 37407.3948 39776.47916 169609.808 77559.89334 79684.50473 45584.53269 115767.2102 63134.55027 172131.7965 35738.63153 N/A 197619.2499 62925.30795 71569.2495 73953.33656 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 N/A 80813.29056 40156.16147 54502.90017 50221.95846 N/A 68095.54684 73365.30275 3R-Hydroxybutyric acid 4715236.063 24210892.88 157076627.7 12093915.22 5622044.564 17290510.48 16902381.25 9800706.304 2027763.947 4952731.525 24978380.33 48707825.43 25539480.36 10223324.5 2975354.188 3410529.282 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 28616596.72 3441539.425 2781151.071 19314839.48 7735311.497 75525806.7 4914854.137 26380937.42 12561265.95 12260325.54 11842498.69 10942409.7 6076755.373 3174996.647 35753155.52 4839763.023 25313115.09 60902851.47 7680443.079 5219040.836 2482839.169 21189224.31 8355245.317 83229760.72 25691273.5 4645447.936 23078907.36 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 58474948.9 19753289.47 35350086.55 9803826.364 1781926.481 2478212.57 4776440.98 24422369.71 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 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 3-Hydroxyisovaleric acid 803560.2151 1149818.41 3867682.242 1018191.587 1117295.526 678933.6186 1044351.056 890805.932 1921100.69 833627.278 1181593.883 1109739.57 4984418.955 976847.2161 955750.507 715673.4001 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 933757.7142 669832.2418 478936.5881 1251873.243 881835.6146 1873873.403 857989.9866 1226012.177 1051493.519 1107615.296 1210004.476 1015596.827 1135583.086 1426957.419 826879.23 880754.1603 1228774.088 1033364.567 964416.1072 1229187.578 1180920.062 744358.4869 218354.2448 1713747.915 1059118.613 828573.6183 1220140.15 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 1337033.666 767026.8129 921522.5851 829326.0533 549628.8561 1193426.915 798648.6532 1097808.234 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 Indoxyl sulfate 4290159.924 3235348.836 72817.92282 2605293.673 3045531.939 2391641.926 3246449.849 2815236.707 2319607.924 4283019.81 3245992.437 72957.27174 2451187.888 4970998.556 2506898.426 5667684.852 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 2180017.791 1513320.131 491722.2078 3557217.474 3567603.748 4536462.144 4295158.618 3204333.939 2778464.676 5325465.845 3700309.569 1863559.036 1891703.14 2369827.189 6939920.355 4241211.826 3186216.934 1101258.605 9821442.815 4939092.398 9628087.53 1379944.852 291954.4206 2586549.366 3517676.406 3966213.299 3206330.25 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 105118.5304 5347625.446 1898574.786 4651119.408 3003058.723 640181.9283 3792836.156 2937389.872 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 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 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 4-Hydroxybenzoic acid 1212122.024 3589235.257 195359.6149 1677473.592 59406.0307 79884.2874 192003.3233 441713.6531 144657.4869 1228895.825 3513356.397 28480.88908 65218.24776 796564.2221 59488.19919 194280.2128 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 106811.4623 1436612.99 39774.69255 63784.52013 2688399.76 582423.9611 1289012.439 3946053.406 128479.4548 2339273.359 2050415.736 186805.7358 165291.1889 83894.79781 14344372.77 1267424.109 3536728.852 71837.67483 2952626.868 79520.09415 97588.97695 111751.8128 740305.4523 190928.3007 62723.27651 1304984.949 3510099.387 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 39873.29219 75316.94199 15545541.82 75622.85959 213341.3232 24070706.53 1148370.464 2897075.41 4-Pyridoxic acid 124565.41 193429.4028 30517.82897 97437.45219 75517.80792 234128.5692 76496.87204 270995.5975 123428.0735 142516.6953 196603.6693 74736.16607 57685.62765 169758.1768 133315.3743 97463.62614 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 235908.349 64347.11665 560945.5196 21945.24636 94800.15595 119974.1296 140329.1275 173510.5744 131744.9089 1096654.385 230820.8346 382909.2061 107949.9455 78717.26552 228240.2992 142431.8222 184401.5022 97370.70759 122323.4417 122747.6155 165953.9034 107447.9228 68136.15832 70277.09926 405796.1713 123059.1387 166524.9615 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 84726.27245 51976.04009 83514.29846 88608.89111 412105.6236 159635.6645 115703.1128 169352.8754 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 Ribothymidine 109561.7863 117312.9021 85281.78593 128040.2887 150818.0486 107060.9477 149011.2312 150226.3236 136449.184 109234.054 127035.8732 117388.8506 114205.763 104687.0149 98270.1565 138603.4291 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 141615.6192 102387.3317 124530.0554 101358.1155 135405.4768 151549.6384 110336.5884 136322.1731 100733.3864 126161.9767 124575.5083 106330.1296 149230.0739 160656.6808 118244.012 118619.7835 132475.2042 100947.1768 137764.1117 130707.4838 155225.2821 119176.2263 120910.7132 157276.9517 147887.8974 110597.2474 123796.2882 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 151778.697 120687.9307 161474.6681 97722.2812 146275.8377 94613.74146 111312.277 115596.3701 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 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 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 Adenylsuccinic acid 277895.1247 84772.89309 25808.53614 34091.9416 55778.75984 50851.29765 44542.43136 44717.21732 191025.1112 292093.7667 84968.96281 55788.12442 87138.36301 51245.13257 187893.1589 69181.52649 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 169198.9314 62090.41481 41570.62959 59912.55074 138831.363 44539.78121 225011.9113 82219.22728 40782.20955 150266.8149 47107.42254 25420.63751 97982.71531 68986.7858 39041.62449 286089.2653 82387.93931 97778.50532 91751.78708 88121.64101 108044.1773 33697.21079 197302.8282 44324.00477 118096.5919 281174.1866 87348.62459 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 155813.1524 64078.24465 86535.36436 158203.8148 174578.4959 57564.46944 257398.9207 70576.57075 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 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 Allantoin 156406.6907 128390.2785 59089.17828 169354.7234 124275.7031 100054.5619 93485.61229 84652.84941 185580.13 174155.7701 135640.8844 79222.9144 183452.6285 145025.4192 220999.3745 254267.5345 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 146181.2811 119137.1524 62325.33 157334.8363 166229.2308 154447.0288 171724.3591 147473.3487 117263.4494 123448.6341 87441.90895 123588.3418 270558.4406 109004.8798 166272.0287 166451.4654 145807.4809 184916.3407 207847.8079 44263.23995 176406.4396 137085.6175 99822.46026 102597.647 172805.3281 164976.1711 143226.4212 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 228548.573 113103.4545 104213.0863 133733.8721 149722.2339 89414.81324 162417.3315 132293.9626 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 2-Oxoglutaric acid 264481.8833 257584.6224 228426.1189 251041.3417 385312.9091 237083.3827 219926.2554 327421.7178 138435.5088 330507.3341 232329.0018 274698.455 341197.5618 445541.3622 164088.4263 226564.7664 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 126893.7698 203625.3556 260788.9572 358548.71 144582.9272 289682.1143 247484.2263 251039.5108 118783.2716 253208.4029 186341.7115 206561.6075 247711.4847 183573.9768 101228.127 242476.1796 182978.3118 144046.8827 224147.5584 222723.9785 132914.8788 88644.02365 105534.1965 236384.4597 134552.5117 281052.2702 250350.4517 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 150890.4839 196434.1325 185126.6005 99472.93282 119192.1469 281197.1602 255709.6036 158169.7346 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 alpha-Tocopherol 6692.973686 7956.996334 4868.364776 9696.488438 6823.48114 10474.58457 9593.889453 8474.497274 7394.191472 8065.17888 9441.24321 11785.82387 7784.850041 7527.086209 9807.471923 8852.791208 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 11407.22298 9721.611007 16216.71373 10645.14097 8909.425493 11555.65595 8307.848618 11058.48189 5085.012952 13931.6626 8725.485943 11291.86951 9396.429659 7261.024591 11658.12264 8165.019893 9657.163477 12471.61502 6195.859163 11072.64153 11747.16171 5854.260402 7110.517504 8885.576111 11744.6215 7932.041969 7530.528697 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 11255.50027 8858.570592 10054.79304 6418.550628 8012.06359 7941.057499 6718.868225 8451.091898 AMP N/A 520779.782 378522.5295 209255.9497 353710.1251 484765.8138 262682.9446 286677.3295 1176938.46 N/A 433168.5423 501256.2698 405067.4667 207766.2214 801161.3065 307753.9308 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 656509.6346 185526.7193 196105.9963 180122.9908 728652.2906 261299.2197 N/A 406235.5531 163994.6922 655845.2325 209654.0228 140068.3147 377429.5176 286591.1992 101137.4063 N/A 391875.2839 474300.328 330787.9579 254188.9718 429006.4774 269655.8333 604865.1546 405050.7862 683858.202 N/A 403671.8467 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 645268.2733 650182.0131 470419.2966 724127.2444 787716.3971 227373.9872 N/A 396158.4405 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 Arabitol 177385.2967 248555.1519 237925.7491 201963.6118 239253.4398 216528.1432 183283.5242 247102.378 279510.7029 176111.5486 244326.4384 330768.7075 219314.6473 260936.9944 244577.8069 286570.7895 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 234831.7556 337242.3938 297686.112 215359.1913 223181.4787 244835.6912 198325.0671 259008.5459 143829.0843 278728.6329 411029.9226 159052.1646 176169.731 232961.1987 315925.358 194916.4965 238153.9689 279396.0649 218236.054 168902.93 283100.7941 421857.1331 227301.2613 189656.3597 262023.8568 183463.3207 251127.7384 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 330395.2898 171559.4528 171780.9554 187226.1678 355057.8113 275288.2829 178182.1681 243069.0995 Arachidonic acid 1758639.202 941698.4029 989557.4968 1080256.549 1169722.594 448876.6118 1199144.745 619794.1078 1295988.196 1881187.265 952726.6812 1624045.135 1380174.852 992111.0614 863738.8655 639145.9729 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 680789.932 481411.7374 578037.6285 1425314.15 1327375.278 1127041.074 1939131.313 948843.9708 688629.209 1380017.666 938740.0921 1124747.488 1004016.744 591150.9033 551202.1577 1830705.559 892682.1941 1027351.766 1004557.018 814397.5126 698491.1181 830080.8849 1138099.914 1157326.455 1315727.486 1996471.884 932892.2477 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 585353.6058 970849.3959 1301736.284 715538.5766 694745.7881 543273.8167 1939458.91 781746.0334 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 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 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 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 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 "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 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 Cholesterol sulfate 1442265.413 1974377.933 695050.2234 1728116.415 1877698.803 756571.3103 1846691.324 1585304.606 2079647.532 1557427.109 1794081.524 2059406.473 2323658.203 1734596.253 965399.2341 1499427.355 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 1671815.675 1458724.317 707251.1336 4185880.446 2048190.793 1862593.574 1248204.148 1682687.179 1036188.879 2122855.123 1366079.168 1010385.369 1979127.307 2237825.702 1473476.162 1583344.594 1836062.638 3201019.245 1236843.525 2408777.761 1882679.727 1276323.787 1326325.947 1780312.794 2895237.717 1285842.524 1849478.225 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 1550888.877 1356980.2 1079083.028 824739.3028 567748.0927 1099185.351 1320630.227 1532059.069 Cholic acid 6928.117668 5772.151011 N/A N/A N/A 2803.677686 N/A 2972.648152 N/A 7522.956782 6160.8626 N/A 3739.137044 N/A 3268.413342 55502.37306 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 8718.976968 6501.915888 4889.400995 6365.505572 N/A N/A 3370.727061 2048.040721 N/A 9833.386174 7493.785841 4109.451695 N/A 112434.4365 4325.160832 5764.312791 N/A N/A N/A 2673.091676 6381.213573 4751.552826 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 N/A 2569.866825 N/A 3826.942277 N/A N/A 6195.688221 4726.777675 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 Citraconic acid 120462.5893 104695.087 72473.60082 81586.52508 54929.90513 63495.38149 74449.95323 72442.0509 80371.07684 95956.37539 93042.09466 76837.74151 98614.21321 162204.8719 56074.87597 80779.12779 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 79217.41525 92143.96626 187488.724 47551.31226 98238.83846 97648.64072 95671.88507 101550.0483 65008.92948 60081.56846 67516.43218 80691.44301 102728.1134 114543.8822 26557.22602 110946.6601 107122.3155 69945.81242 69600.62165 76276.59174 82068.00368 69599.97726 30951.7124 69555.35025 54536.53865 99360.26039 94175.19026 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 81706.0874 73874.25838 48710.84949 45422.94113 63920.88958 71866.7679 99685.86595 91667.64177 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 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 Citrulline 7369214.027 8620966.663 4614184.827 11247991.78 10005685.99 10428755.68 7580431.321 9151267.717 8310952.775 7470284.327 9456017.193 4682298.789 12048601.8 2589710.631 7810863.997 14241481.34 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 7422364.701 8438985.079 5995138.392 9457706.442 7666862.659 9893155.006 7444179.327 9305771.404 9889518.513 13706904.47 7179954.22 6497860.08 8775827.334 11412824.14 12883789.13 7578475.325 8805018.293 9550027.023 11267453.79 7384484.169 17372511.98 9506437.617 3320002.012 8160458.992 12606170.42 7211757.277 8655850.461 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 6321001.456 12191274.46 8837160.362 8965674.15 14358028.85 4966815.199 6565358.05 8056329.228 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 Cortisol 8438.57976 9926.625323 6318.043093 15426.48125 11667.18263 9761.215933 12513.92412 9634.069886 12650.00532 7304.120734 7166.346358 16331.55175 15457.3405 5067.713032 11568.5539 6322.688152 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 4640.9709 15487.77422 13552.38165 10297.67093 10776.56779 8776.559609 9996.223931 10204.48574 10664.45792 4662.902864 7869.582053 3913.847944 8182.273116 6547.134647 11597.7069 8927.213956 9560.596926 5888.8776 7532.540177 6870.762024 9979.219401 15236.66435 6768.085708 12788.54843 16908.34714 8708.973393 6695.168271 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 9428.907538 7150.651083 13707.0717 12212.06985 7258.894764 14717.50596 8839.976253 8180.732409 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 Cystathionine 26466.13149 19347.39357 12229.72372 18030.11073 18863.04514 13448.74615 18034.78548 21595.73694 21180.86215 23298.4567 20896.73424 16338.68614 10542.72468 31877.49128 11398.66546 29572.35856 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 12148.88672 11290.24523 8207.016238 8574.59127 25758.44044 17853.36717 21543.8682 22141.13826 21286.73432 19272.63726 12354.84023 9255.73946 21446.1015 17282.5564 40406.3143 19254.86187 16633.34284 19345.6485 18569.47592 18201.87972 13717.50232 20516.46307 14521.48875 13852.72323 19022.36081 17737.92532 16460.73917 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 17066.96175 14008.9385 55885.04018 12987.24743 16834.34177 8199.28829 18051.65637 16939.36339 Cysteine-S-sulfate N/A 185202.4185 173682.3482 224064.9837 333341.6454 505127.7625 155455.316 225159.3298 181969.7932 N/A 198085.5586 166815.2998 211386.2056 227321.79 188632.8974 147302.1887 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 179372.8672 38620.47046 149549.9639 48799.59141 114410.8851 327253.0974 N/A 195641.1452 347278.4053 268435.9092 218901.3095 89411.37699 159125.9295 256342.246 409909.5728 N/A 189624.8667 107871.916 464771.4526 65737.31114 124084.8845 199070.6057 188818.4598 224996.6729 289364.4744 N/A 186589.1148 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 225276.8043 155907.5026 181784.9076 167565.3042 208723.4714 138468.534 N/A 174153.1094 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 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 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 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 Deoxycholic acid 33859.92678 23909.26464 N/A 13294.49526 19565.95098 44535.6155 2713.905108 52965.53189 6748.163651 36453.95893 26097.4256 N/A 89131.91985 34745.89049 49306.90124 48851.95952 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 5987.026459 25255.94518 N/A 49553.14365 11607.49409 20964.80217 31532.96471 24722.56098 12983.79286 14377.12182 42810.70186 31805.29246 30378.82906 17529.57934 15507.62538 35144.08922 24884.48751 5857.870844 361248.798 104648.8179 150743.7543 2231.439437 N/A 8155.59829 35104.27276 31091.92897 24642.69643 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 N/A 44878.64029 5786.158336 65961.60774 N/A N/A 27596.77259 21997.10887 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 D-Leucic acid 475322.628 474887.8064 521317.4813 553579.2692 738975.3438 450234.0676 403490.6098 287703.8685 471400.3648 563787.5191 502989.3206 487017.2135 590040.897 483153.4066 573173.2111 322836.4828 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 281755.762 359858.2218 323043.4358 458753.6361 626114.5328 658985.674 554901.2678 522532.8338 660092.7337 475914.5599 433077.8433 478409.5961 604445.982 421564.8688 576807.0416 548366.0933 538776.0162 440975.0469 714409.7039 551271.0774 467328.4518 295227.8949 175631.6693 468223.1958 338478.1399 525864.5218 496833.9348 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 405965.7744 434481.0384 266358.5406 328602.4561 314208.1857 442296.4947 485292.0033 527701.7187 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 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 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 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 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 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 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 Ethylmalonic acid 135529.4658 199073.9298 84874.4161 186794.7848 219173.5557 198259.453 189131.7476 231147.5092 156024.1311 121350.9446 206772.3854 102667.9645 112102.4895 176654.9352 138292.6329 141799.0749 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 197184.5784 199913.6504 177390.4167 180895.1165 191536.8022 289665.8799 131199.4594 196241.6291 116463.6638 198965.749 137491.9875 135634.58 166468.7749 170254.4101 231701.4752 114942.4803 178628.4617 235462.2267 138205.7376 540007.2457 232816.0361 171423.8475 175014.6373 291261.4032 214872.1956 114795.8294 188664.2879 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 246509.173 259689.6075 109544.6951 206180.5893 262539.2841 226851.7658 127887.6154 183653.6518 "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 Fructose 68122.32589 85823.37718 101306.5393 118814.0225 81496.37999 88571.0738 86981.10879 43075.93347 57763.82987 65873.15984 83922.38982 99805.12065 58393.08897 105871.5495 150867.7997 84149.02513 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 61217.02828 65673.36568 106221.611 71847.99732 46192.28907 68305.13401 63263.84667 83766.09805 70424.15649 38396.45873 90642.2205 118512.2658 52585.74866 47918.32867 142172.0996 63185.28918 74106.37266 47163.6881 78541.1006 140258.3179 54904.21345 83238.06101 94011.38775 45109.08369 108805.9063 54517.81151 75511.86259 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 58867.32939 40796.16113 43534.43043 68588.51253 87088.54596 22223.69004 61363.17263 61471.32828 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 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 Glucose 6-phosphate 24888.33386 62740.9801 27138.79566 37218.08207 44359.6874 43652.38746 30477.49213 36222.88311 218828.2734 26497.92641 73936.78971 100217.5148 42475.12514 37873.13273 196591.6442 52027.69036 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 110647.0574 33110.08626 53315.35509 37470.40966 151080.9947 38917.87566 26024.79629 75081.23277 28348.22901 87483.98568 28645.70768 36946.6315 52388.71518 54576.89696 39167.53878 21600.91124 73077.42201 89533.88489 66688.30085 90820.68425 112233.2336 62560.00602 147052.7888 68275.49245 110737.6164 22354.37804 65740.35013 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 76232.21841 84427.3683 37514.30015 205798.8067 200325.1665 41649.93146 25459.11268 69412.91381 gamma-Aminobutyric acid 46045.88911 11824.199 8162.109489 17220.17198 19870.83539 7975.788082 15123.06894 14493.84142 9009.00704 43301.97862 13482.78595 9568.364845 8447.737786 12414.46933 12945.44474 11525.2376 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 18103.12851 8171.181802 11463.2551 6969.153809 17387.4745 14217.61278 46354.56899 15801.60836 11535.63561 9078.005793 10757.86548 6865.797896 13154.04691 12078.13794 16523.78367 41611.43013 14562.45304 14303.47854 15992.63117 11379.60558 16946.21395 11110.63991 10754.76224 9410.118074 13348.07604 40627.34489 12723.89271 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 12419.91144 6492.211157 4082.445747 17602.79081 14852.55474 9482.485629 43199.46893 14048.1495 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 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 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 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 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 Glucuronic acid 84534.21263 71277.54528 40874.98101 88825.56242 106560.4336 85844.10102 60759.03609 62504.35698 83753.53642 101832.1 97685.5563 95392.05596 58341.17573 91788.12166 67111.30693 108264.2167 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 87891.27948 82258.26314 114950.581 62470.38454 87172.73066 97920.87486 87696.9859 112410.1202 57470.86853 212417.7032 183062.5879 63939.54796 85599.29962 129962.929 158284.4647 99394.58419 97478.86185 70514.47128 94412.94888 81191.1747 92007.57568 191492.2534 105246.1195 89523.26991 108683.6175 92663.43874 72005.20887 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 116059.5965 95025.565 57488.77564 171917.8506 103739.3861 118375.0324 87116.49003 90448.6158 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 Glucose 14567444.22 17249719.65 14415301.94 21154550.95 18629603.69 16244410.38 16335550.51 13586658.95 16360187.92 13778636.64 19109398.62 27081178.11 17855132.4 20172331.2 24111772.87 17794677.96 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 17931415.15 15006597.6 24902844.77 17469842.38 17653182.53 12441240.65 15115843.89 18722678.04 12306356.11 13598207.69 18804058.69 21198161.15 17479409 13719641.2 19214281.56 13112648.18 17140866.7 15050066.06 25587140.99 18610417.13 15904101.2 24523885.54 12813036.85 12929581.45 24350013.4 13063879.87 16185165.29 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 14506839.55 13898991.22 10994450.73 12100353.21 17298736.89 19262137.17 12786991.72 15420655.51 Glutaric acid 63866.59089 69308.95297 13740.1905 12416.88606 12208.33588 9665.447929 12839.74697 14285.79728 28499.79855 64869.80916 65469.95494 11821.69771 15326.77072 31552.0624 8806.872076 9984.279824 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 13784.13029 15258.2008 13723.64176 146594.4681 14727.39279 16557.59579 77069.25512 65873.60701 7303.536228 17566.55612 12739.2167 14598.57024 18408.62746 6726.405317 18303.46419 65793.68536 63144.52191 11009.2632 16402.0444 32721.08076 40533.4064 7631.192558 19426.11581 17763.23076 12088.81984 67207.49389 71449.61815 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 15243.69511 14730.60968 13925.87116 8632.856068 11669.52652 25913.67447 66994.208 62395.94908 Glyceraldehyde 631746.8798 921468.8462 732116.7009 974595.772 1001012.357 761535.7608 842093.6922 644745.8893 707556.7026 634770.7707 850578.0054 1361017.052 805255.9607 977439.1142 1116239.152 812067.5145 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 815937.8961 740691.2566 1143706.061 845682.6564 850397.6077 656719.3836 665467.7775 915972.7687 619721.4404 698832.8498 923699.099 994561.3811 812281.4249 654822.7111 908103.5161 641416.4442 881581.196 714951.4931 1238962.511 876863.3869 792586.3682 1059971.306 602626.0004 610416.6212 1087121.473 659704.7629 793210.2269 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 716957.4788 716267.2487 565318.4711 585363.2568 824651.2544 930215.3072 608074.5433 721608.751 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 sn-Glycero-3-phosphate 309964.6457 164225.1194 161082.644 182883.4564 156461.4463 183592.1457 184563.1173 193882.0384 54266.79215 321340.9577 175097.6273 88296.29342 121334.9464 163625.3489 51753.53472 174351.3875 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 33820.58631 185384.6444 197403.3337 249916.6069 99496.10509 204401.393 337974.2108 154528.8582 156460.4103 120399.5138 73704.87735 198213.4581 163273.6241 156539.7946 200515.9718 319617.4347 158329.3945 108788.8589 125125.8791 155037.8884 159393.8485 241948.8003 65041.47338 188166.5544 52111.83656 311435.5705 163798.9863 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 125359.6536 142447.0167 89189.02664 18008.47163 37770.97123 225770.0118 281279.3518 142255.9314 Glycochenodeoxycholic acid 296545.4862 125171.7941 5885.63801 146197.4922 100453.9388 43765.17177 89338.34246 52122.32915 25704.12636 282160.3444 113822.943 69005.72326 742193.8971 203830.0404 207497.5004 161870.1257 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 27962.65213 310521.7169 4180.993665 1279297.628 196283.7798 40552.24853 272099.5497 123142.6857 28668.00296 22810.86256 115170.041 13660.30836 69321.18479 59427.55161 14611.26039 278494.5824 125890.894 47845.80212 56127.01985 54954.31843 395016.3023 4429.888879 36148.79449 40671.84105 189250.4107 264679.0581 111919.446 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 239410.3746 184872.9666 63666.48419 44155.88951 55310.77609 11166.2753 249970.6284 110306.0087 Glycocholic acid 34752.75329 13245.58115 N/A 25463.83165 19356.78319 13634.63234 9536.387073 N/A 4616.519177 40274.85627 14501.90032 32087.90175 79463.39423 34136.56905 30308.36955 15945.54792 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 N/A 51026.32147 N/A 125711.0865 10235.27108 10753.44822 38090.21997 15706.95389 4788.13778 N/A 18692.30325 N/A 8347.785342 15615.36125 12083.34764 33480.35986 14432.66124 3973.185356 17331.69526 16846.85192 15124.04721 N/A N/A N/A 24068.32946 39204.31973 15069.51752 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 28743.28784 18266.77866 13396.38073 6411.261059 4045.55366 N/A 35298.50552 14751.56374 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 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 Guanidoacetic acid 125265.7777 132953.9994 77221.80656 155275.8018 128043.2682 105980.1639 155584.7246 127818.3094 113019.585 130082.6307 131654.3266 99649.34545 186734.3914 132324.4668 168204.8716 210613.6489 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 126018.6234 128076.0227 152795.855 220140.0147 148149.6891 173085.5444 140176.6321 145537.3204 119205.0974 159740.3763 117196.3135 118085.7302 158401.0869 203081.2928 97309.31478 139341.1265 133092.7636 199309.0659 117282.082 133377.0724 184766.5987 85005.77912 56019.63557 105272.4907 105873.2106 138803.9499 139127.6793 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 160890.8352 168635.2878 74163.83612 107296.1399 125324.7043 61502.38956 126704.0691 116194.119 Hippuric acid 1171509.147 1592514.854 1500941.085 1861843.925 480302.6078 990537.8529 127201.3598 1235243 175329.8913 1267321.305 1706364.037 1018668.984 639043.3186 1785497.287 630626.6539 3732920.434 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 1621275.521 3295729.593 7151289.739 2793556.719 312155.2678 1126115.013 1293830.443 1718868.244 11791905.88 192122.3447 1241663.68 550590.2202 295892.1149 1169718.565 2155631.676 1157226.5 1666515.469 212939.29 556733.4333 1182498.552 542353.6029 1754267.575 87297.19585 98008.82211 828020.1501 1146491.49 1605542.751 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 143441.399 1452950.215 201217.9686 216413.8694 552370.5646 2873749.651 1131361.704 1530853.09 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 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 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 Hypoxanthine 10881951.8 2643198.731 1645508.549 2296808.341 5821014.244 3069296.173 2916667.85 2498762.688 1435094.639 10595455.59 2889189.213 2315467.006 1191503.71 2579211.895 986469.7147 1475443.326 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 2203218.911 511630.5932 2417340.155 1124887.003 1485264.65 5093015.186 10667761.3 2810309.417 1400424.47 1488509.803 3451524.782 2016193.897 1989482.71 1984218.357 1884072.494 10736534.42 2756882.822 2436688.854 742697.7122 2416968.084 1982071.318 1493565.812 1277336.045 5919449.215 1397256.353 10223086.33 2653359.171 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 2236456.207 3502918.382 1441528.804 1624579.844 1862746.42 2754191.974 9799820.087 2561555.189 IMP N/A 112929.3202 59632.25782 69184.96079 108570.7762 90563.98634 85693.70243 156881.6414 285805.6178 N/A 135114.0709 276581.8696 163520.5771 110337.6011 255935.7941 95031.7984 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 123652.7228 93337.25282 105058.5993 92830.949 701124.0096 92563.2792 N/A 146130.7114 69628.89722 183895.7833 82187.22811 93893.08078 135800.4574 632018.1783 13059.88859 N/A 149550.5053 157154.3495 154989.7987 34592.44067 164766.3686 202528.6668 209455.3223 190074.9957 322013.7357 N/A 96596.7987 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 209285.784 888532.7573 141052.2944 316238.9236 244035.28 98392.68394 N/A 149170.3311 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 Indoleacetic acid 186075.9272 173431.5012 66349.76339 207518.6068 131749.1785 140196.428 154228.0098 139848.2772 94999.30888 187873.4692 194434.0506 43951.04152 95823.03326 97826.33969 185684.8991 199002.3581 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 258386.3058 881066.02 142621.2649 501482.5205 157861.6229 215490.594 181281.0301 189971.726 76786.94254 105020.6623 196680.9719 120691.3144 128740.1057 92240.43062 206421.4125 195284.4487 189257.6575 85606.03144 348796.2567 516803.5914 255687.6986 96589.72246 41168.44638 87532.4525 185507.0779 166801.9084 189785.6017 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 80587.52042 122543.1895 98005.13755 241642.0863 118137.6028 68409.64581 185197.0137 167501.0272 Indole-3-carboxylic acid 25131.54007 29162.30872 18264.98227 49887.80777 26921.55598 27344.05105 26303.65132 31535.9609 26023.77089 28794.1691 28558.51316 20304.25272 24890.58578 31257.23169 26597.29805 40398.69522 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 24499.2527 50918.6386 23246.06361 24704.92107 28552.30656 49310.8149 28872.42188 29316.48509 20684.59828 30527.89024 19160.3326 37808.64553 30646.27351 25517.37903 52343.40092 27013.79267 31822.53862 23846.10241 29015.31727 49439.53153 26939.56707 29660.50581 20108.89055 22395.65157 61423.29252 21208.77236 28164.79275 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 22340.5297 32734.67638 24764.24395 27642.1087 28566.29609 29690.92732 17152.81249 26301.33053 Indolelactic acid 421274.6946 423242.2511 185371.5213 643809.4821 379444.0822 250181.1138 433023.6964 457548.4576 547939.3672 490299.5924 434894.5781 335733.2909 375557.2316 661505.5664 493273.9058 532772.3049 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 315161.1832 293309.6278 532369.0567 317664.3793 771718.5126 579016.2704 480253.9124 485696.7147 260924.8275 589849.6636 355674.2531 457543.0973 529139.2731 281520.0643 1140720.789 474878.2494 467525.2818 305445.9927 645553.0697 427874.1681 422434.9383 523321.9046 132727.1132 332625.0782 343194.5378 459749.9867 414967.0663 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 383802.4204 341585.9347 936131.3729 393828.91 568787.8126 366682.2617 450126.2428 396898.2794 3-Indolepropionic acid 191366.1977 123917.1085 N/A 333375.3905 134646.0298 143710.7024 80492.4797 1038353.396 N/A 189142.7187 125084.7377 N/A 91819.80299 130045.7396 73822.96378 288528.1244 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 80223.84337 53553.88588 N/A 80158.20442 N/A 126867.7937 190768.3736 117329.8433 33165.93336 70224.54308 93153.93916 101854.9373 405443.1472 146389.5783 550855.2206 179491.3471 116834.9334 87906.14503 189193.0061 46322.52179 87736.79582 33371.95216 54530.9023 71381.69295 170923.5312 194572.1519 137048.9768 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 N/A 135925.7432 76928.22184 43897.93992 104946.8726 27127.77201 176442.5815 113270.0747 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 Myo-inositol 1032902.161 1089331.932 802733.8804 1022534.132 1057720.605 615860.4832 1130436.857 1397288.566 1309020.874 1061417.126 1071388.933 1016363.789 785476.6377 1211587.644 949938.4226 1008792.111 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 1240934.141 736272.9783 1749768.395 1245908.483 1336083.824 1316048.398 999411.9394 1193385.537 688869.9934 1154901.959 863128.0784 621200.9038 1042331.804 773654.6981 1099914.251 1063201.74 1018517.033 1058975.756 1103873.112 1237637.873 1164271.383 1912838.309 521672.8183 1128330.301 1629791.819 989424.4922 1113183.125 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 1190974.12 963386.5301 951960.6368 1057069.303 2334334.681 1075875.703 926817.4781 977894.8577 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 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 Kynurenic acid 695047.8034 599303.6926 525232.3509 647326.8576 559721.3944 432971.1338 496180.7375 525892.9239 476635.7433 586858.9199 517586.2625 470980.3876 435394.2387 529420.2799 473529.3841 597191.5119 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 470405.936 463840.8037 476995.0845 459902.668 547348.7036 576661.4845 547857.344 538938.7066 494486.3925 400915.6883 454625.8936 354049.4561 454175.9756 394588.2965 476702.7863 658386.2101 542201.9434 392941.2419 497229.6154 489596.5092 511652.8069 524903.6772 426456.7221 551361.5273 595389.8709 578883.7775 523671.6866 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 452412.1613 427669.5995 457273.9345 477005.8799 461832.5257 393266.7143 528482.5777 525360.1786 Lactic acid 43667701.79 25316933.51 18290161.01 20562135.42 36792734.07 21105267.01 19493706.19 17502441.34 16943689.82 43146092.77 25004319.32 20253203.76 15870841.52 26533024 13689866.06 15607932.03 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 18126680.22 17881093.41 30661336.81 19396328.34 46351181.36 24118120.59 41610673.52 25579788.76 55406610.94 18617837.71 16848612.16 12767526.93 25418703.77 16380406.17 12410897.82 42192326.79 23722781.84 14910079.63 24117269.66 20544748.34 32102676.46 9224969.567 14923389.31 45469012.94 16854255.95 41558890.78 23974590.76 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 23989587.79 16929146.96 16340678.08 13186552.26 13554730.29 23796613.72 37684680.16 22225491.78 Lactose 49156.05949 125263.8541 21271.06772 22521.44034 53535.52175 31623.92184 29438.68888 19409.65385 402523.4392 42263.29602 117464.53 108408.3391 72111.78314 43982.2334 240251.3214 41192.03853 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 281127.1437 55927.81666 82586.89396 24081.94548 143629.4889 34712.94963 40932.39514 105479.2446 38710.64508 215563.8083 35864.65323 19023.63548 76757.22746 45142.05876 126994.6526 45300.36129 117235.0963 122844.4782 125221.2455 43994.42554 113297.3731 60003.78614 193506.5914 32980.78266 268631.2727 34893.66798 112706.6578 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 84974.41341 28708.31277 52164.44946 265883.9346 196628.091 94182.41378 38438.97048 98806.61117 Linoleic acid 551208.8411 1171625.882 1637063.207 1534751.056 1564939.21 994925.8486 1657987.282 962772.4369 1049717.271 588083.0874 1396617.875 1575746.736 1326487.76 1334375.541 459525.6826 1115143.051 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 1115236.562 261040.4544 836346.2155 961725.366 1130963.645 1609513.434 570940.9442 1181043.672 885736.2442 1486119.216 1714669.672 914163.583 1597239.695 787463.8882 1315848.784 579260.5563 1208870.714 1510510.864 1167040.268 1008523.444 454974.7197 1586641.276 849184.4618 1840674.837 1999619.746 559052.2877 1164994.939 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 1204814.929 992859.7085 1480373.991 855791.0926 489922.2845 1239017.936 507579.2805 1036996.363 alpha-Linolenic acid 91157.62582 133872.466 133467.3037 154137.857 195291.4354 104868.5943 155109.8664 99410.71729 146921.6734 94151.1821 130153.7845 189567.4698 145124.5553 137179.0757 68102.10047 137272.1908 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 109379.4076 26148.40923 109154.1096 145267.5872 166436.7557 161294.9491 86747.40684 133670.1721 124777.5933 183474.1117 240834.9809 93178.79951 180700.9574 104418.4779 119054.8529 96331.37709 138708.8309 191313.2516 98998.60787 107342.8587 56404.83251 203773.4944 59847.61292 175919.072 192894.4808 91934.7553 130660.1979 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 102127.8244 117152.5512 142428.9712 83998.94427 48333.03909 157380.8808 85454.16897 118886.1304 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 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 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 Maleic acid 78667.50203 84493.30044 91916.96003 57561.76663 87845.04435 98056.17161 66011.51348 56217.60522 62709.57022 73362.21163 90112.92504 56203.56657 75076.10702 94978.85816 72711.41294 90249.04135 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 39730.51096 48249.1292 82863.63296 57630.72648 69509.89692 51197.37027 78358.37237 78752.70202 77864.19547 69489.3866 66574.71007 62294.56976 88431.84672 70582.09855 66641.48677 81104.21241 90026.27442 88005.31476 95894.05417 50835.83417 62425.29285 79227.83235 68185.79205 74398.4639 49046.66311 70173.028 79533.46512 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 65021.31461 112387.7968 54100.89178 61794.82602 75802.501 105387.0781 58764.27895 90756.42684 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 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 Mannitol 53557.56994 50422.80994 9251.827665 15932.06804 60232.6418 14281.73551 13160.13893 28168.89885 15424.70082 53124.49119 44686.88366 12750.73961 25613.53384 25001.09125 94940.37615 40481.12154 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 15924.8156 56021.88182 40461.65514 10751.13578 80693.70478 27352.97891 52044.96157 46760.07398 10144.99313 12751.6654 19905.40003 9580.122895 8412.640634 31981.46628 588201.9431 48171.25379 45439.43628 25454.35607 11197.58244 19068.20249 17502.62811 17970.41057 27112.73072 14773.77501 45979.57769 48798.68634 40931.0289 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 14631.99531 11414.98767 17882.77127 8561.317158 13490.15622 21191.6293 43946.03964 38256.20651 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 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 Melatonin 29354.78519 31302.70958 35237.89853 12891.87946 61079.25038 16090.03818 7835.736336 22500.5231 43151.95108 26706.04854 24632.49055 17164.51921 41866.60424 8372.423717 12697.19548 19349.10803 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 3196.36623 31620.48531 6103.035061 22089.22897 16291.33117 16926.38688 24861.61331 24983.03511 23642.31867 25525.06464 28949.73041 11229.3025 3659.183915 40955.42849 22377.78373 26269.26614 21156.78534 38944.84482 8435.774282 5065.047664 23914.82779 14446.51796 15099.71192 13126.18905 27268.72728 21327.94162 26015.73657 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 21163.56978 42247.60319 N/A 6889.790521 14304.53005 14654.33709 19182.86721 18219.64007 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 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 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 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 Myristic acid 16852.03211 26339.04781 18937.63364 16258.82112 30884.88284 18485.73378 38525.26676 22468.23378 30641.96572 24145.60443 24135.02706 32890.65188 39529.89275 32827.05373 5896.477336 30459.26169 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 11777.83508 6982.671913 17255.32914 48618.07672 30106.69695 46478.25129 15362.83332 27425.75122 31273.46378 24241.96776 25201.52422 24778.35929 21928.13159 29497.43612 28245.40666 15621.32104 24649.92299 46938.09352 17468.82821 15691.80853 12388.68717 25465.21501 17166.94965 19483.74785 45403.04675 20958.8276 21589.92217 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 19879.30297 20348.13046 29625.53561 13450.46412 16565.02779 28865.4373 19721.67428 21583.96788 N-Acetylalanine 527602.4587 694806.3979 718931.0246 744476.8743 713160.4986 688162.3293 689255.9288 638370.2906 833833.0778 525345.9127 744864.5325 586595.8421 499112.8412 847018.9823 524375.7773 813294.0078 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 670934.345 671803.2052 737914.5308 465632.0797 895032.965 990518.6127 519060.8754 738941.2609 583817.1523 704405.9357 695982.2305 544349.5167 804013.1794 702322.2639 873316.4926 566248.8499 773123.24 608005.4406 643334.0042 687431.801 738136.9922 902606.7249 833487.0745 754879.1567 901570.6775 542490.0675 716146.9561 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 947588.6612 646111.1082 681454.8095 626983.3465 1024164.605 743221.4904 484883.7742 659752.1665 N-Acetylaspartic acid 896594.7558 845374.6241 925131.8227 867488.572 913693.2187 936356.6081 1028299.109 991819.0503 1087773.998 944409.1729 944812.9659 871096.0175 1002387.901 857469.7419 875554.6283 1068602.399 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 979383.7311 926508.7493 890647.0955 861915.4718 878258.7105 875553.9525 813146.5888 901608.0989 847389.9911 952051.0792 814176.3172 860355.1186 862322.4786 988105.7448 873965.2532 803313.892 892795.3891 888935.3422 840766.804 797459.2991 844623.7838 854511.157 878246.9466 845181.8856 846638.5641 774850.6009 831633.9937 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 936764.2238 897425.6347 820900.8244 801438.747 930942.5391 833719.875 741933.881 725259.7902 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-Acetylglycine 289154.811 259483.278 387253.9327 103186.8611 170096.9563 117596.3334 405819.599 277017.4038 251890.0658 295195.5341 253816.7303 288489.3056 215312.5719 107637.848 110729.5698 116198.4407 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 719072.2914 178491.5617 171641.4363 152281.2198 112784.2295 358182.7655 280608.5545 253699.346 320490.1534 504284.9328 210750.673 163369.6126 169008.0472 150610.1956 251817.4665 258973.4004 248556.5903 241381.7292 68090.46438 214798.4288 124405.4909 415086.3658 315536.6707 156682.647 278984.6143 259550.6959 224892.7275 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 379814.0212 302480.1871 452871.8781 190967.9639 283504.5361 233249.0481 249101.2092 220917.7341 N-Acetylneuraminic acid 89509.98263 131484.961 139985.5995 113218.5851 132236.0956 137630.6811 105547.2479 138905.0964 355051.379 99375.22724 161882.877 222300.1303 216211.8405 136035.7689 319547.7578 157538.6516 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 239688.6582 133209.2341 152649.5708 101498.145 370743.3328 188678.9942 131319.7048 197775.4206 119665.0598 299411.6597 157440.238 109181.7376 177759.103 140034.1516 254806.0653 131070.3221 202703.8074 216750.5241 202406.6403 139177.3537 240133.0001 264693.6503 239317.7238 147326.1039 435472.2238 109521.6864 182759.0883 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 286817.6432 227212.2684 145170.1071 655840.4841 663132.9895 169693.843 115786.4448 200251.6531 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-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-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-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-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-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 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 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 Ureidopropionic acid 8114.7844 3741.627159 2727.365158 4979.920317 3978.51316 5424.959505 3506.730916 3431.304629 3543.284113 6397.367454 3831.957733 2556.180976 4287.197272 5284.960478 4349.733239 2875.486258 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 4781.064005 10082.9547 2885.962175 4987.065538 3784.57488 4603.495202 9053.846129 4026.652525 3526.033188 2514.891688 4436.289718 3064.33712 3165.819587 2918.796427 11785.86692 7948.251682 3607.350503 6112.390722 4404.929172 4926.775235 3974.488758 4562.52212 2569.133668 5498.805879 5738.343627 6799.710834 3968.106461 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 4928.767987 3171.663871 2958.377712 4788.402915 2695.030446 4144.9742 8234.433091 2122.644737 N-Formylmethionine 26503.37069 45082.32581 40182.55806 55140.64477 42408.98138 43065.2593 37389.79433 33716.8168 51473.25467 28850.7991 43560.80736 29621.8976 38005.17726 51237.506 32671.11111 50103.17479 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 39201.19628 43012.4303 49104.04669 34451.40684 53083.39761 61739.64722 26287.78479 44281.55326 37256.95661 42931.13662 48308.34476 32411.43847 50608.86718 33765.3336 53822.08266 25490.8746 43088.20034 34564.74916 42378.11931 42204.82723 50041.08516 50697.60722 33102.54606 50347.8253 51064.03407 25542.07436 44527.82103 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 45698.74432 33169.31373 40125.96913 44463.95571 63353.55979 45043.30524 24360.63008 42686.84197 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 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 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 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 Phosphoethanolamine N/A 840058.0052 658281.1796 617916.4404 986426.3792 775904.4231 694866.4561 723022.7631 2299569.129 N/A 1093049.385 1640828.25 1310161.844 728309.038 2731367.155 992184.2689 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 2072004.156 776010.6129 785387.7478 781800.9504 2879700.23 837659.8391 N/A 1118963.142 707017.845 1941900.411 644388.8791 822668.9057 1504635.758 1273926.74 333826.7572 N/A 1067574.673 1652343.411 1392865.453 565773.3896 2003305.661 913373.3625 2433493.078 939806.4618 2222094.102 N/A 769620.204 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 1956423.211 1853556.958 1099195.79 3216285.089 3135486.926 895478.7078 N/A 1016511.921 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 Oxaloacetic acid 65840.49458 21009.76772 22412.3321 19533.05793 22917.09696 22129.59647 25749.62336 22625.6206 26506.53635 73163.32547 21438.97823 19778.26392 23700.19322 22390.10856 23148.79872 23671.67881 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 28717.1098 23907.30508 23313.26552 25273.78334 25559.28638 25494.6472 70239.78663 24445.90375 24118.80559 26792.96663 23662.90086 26097.68374 31282.77284 22938.29126 24076.12722 68967.5178 23885.0127 25062.54877 26401.4551 28955.79631 25105.78428 24382.00648 24660.51668 27323.70596 23764.60744 68216.47221 21354.03104 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 23450.63428 23693.514 23142.03612 23213.10599 24845.01413 24149.97554 65699.39731 21678.33838 Oxidized glutathione N/A 34701.46436 27114.69792 20031.40242 18403.88851 16610.24236 18838.07349 23718.00989 55853.25046 N/A 27514.34807 63725.5435 43813.02944 18157.5915 43239.69936 21609.33919 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 37896.84875 13302.03247 13084.78374 12079.65378 51087.32687 14585.55789 N/A 23318.84945 13315.02654 39599.45896 13548.49785 14965.75291 35006.57827 16976.22074 9038.517876 N/A 24916.03901 28148.02576 33695.24638 9136.61405 64986.61038 20775.60966 37003.22014 44760.98625 76995.14345 N/A 18065.66334 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 27102.81492 53555.53423 17796.21405 33456.36386 70350.78366 24245.1251 N/A 20767.64638 Oxypurinol 145108.7296 1641435.238 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 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 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 N/A 150734.2142 1618315.066 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 N/A N/A N/A N/A 148501.2946 1599615.302 Palmitic acid 301567.6616 464547.6023 491851.5603 523056.345 509949.1474 337024.7901 600767.672 399974.3515 538529.2673 326595.9304 541235.4171 609306.9021 601723.6612 539798.4341 182806.267 391619.896 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 351680.0865 152586.9569 263887.6831 673358.8928 530675.6295 544630.3357 364751.7373 519903.6637 369571.9919 428834.3292 407284.422 428873.1759 437982.169 330719.5058 415394.9854 337663.844 524108.9456 633483.1441 293600.4393 358854.3194 249652.8575 450397.6997 336326.1334 588980.2516 582193.4251 329725.6498 485492.6206 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 414410.7442 368547.2168 516193.1494 262779.8147 250307.4458 343200.6174 339224.3867 467168.5125 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 Pantothenic acid 168223.2051 254093.6256 125931.7312 224241.5678 289568.4511 209558.442 265421.9044 496945.4499 73910.60743 169611.4953 233619.072 212244.8248 87694.45143 143531.3099 95255.91672 138863.834 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 610950.3917 270645.7584 766009.5988 131327.5895 217272.1736 188747.748 172089.0394 246122.1403 92951.82512 254799.1438 351928.744 322506.3241 135275.4652 57060.76333 289519.7445 165246.185 225621.447 216863.5947 227201.9232 111743.163 230492.444 122743.3107 163691.8661 146599.0518 479620.618 171690.6071 233443.475 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 156276.2746 134456.0334 70930.12486 217598.7967 424232.501 202195.3486 150039.41 227987.9981 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 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 Phenylacetic acid 42231.65028 39537.25992 6507.126823 45757.70047 19256.96374 54438.58032 6814.082939 13936.04958 6537.271216 46372.44423 42083.26731 3746.543197 12631.74198 20454.88444 16471.06936 34234.15316 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 13921.59141 40974.60144 6799.660142 50742.51372 7310.004314 29160.63713 42499.63754 43421.13848 24759.92249 19775.64827 23938.40262 23568.34484 7941.91006 20824.04998 159369.1051 43920.45374 41187.07903 6292.240664 49600.75013 48779.70461 49916.47075 4858.581983 4290.769783 11539.80033 48029.31196 39195.02997 41052.44031 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 3959.245511 36236.72942 9654.873435 32853.36105 5911.961921 4337.859189 42080.9488 41547.75889 alpha-N-Phenylacetylglutamine 1533039.111 3063840.556 554427.6191 6446938.534 2320242.719 4158748.767 478379.1462 1808367.333 399397.6144 1642611.552 3077742.537 256762.4953 1364296.937 2836305.262 1704575.919 7051231.899 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 1762524.87 3592339.881 222027.58 4768519.663 1277649.622 6151464.273 1571287.667 3191576.037 2507910.447 2787964.001 4120527.591 2835498.156 1615914.818 1385503.213 12941196.32 1598762.807 3136737.407 789069.6956 8985943.462 8178043.708 8241663.8 398444.5896 239069.4957 1634702.291 11840964.39 1460142.64 2859545.349 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 193888.8116 4401159.416 959943.3932 3903225.325 618203.6733 182525.9064 1470784.714 2789111.928 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 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 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 Phenylpyruvic acid 10003.41854 12566.84648 12508.45164 21884.64685 13506.96596 15644.4776 21503.64391 23622.14446 8551.76961 9204.78924 11856.17595 12419.61264 12633.77803 24050.29724 11829.14571 28122.35865 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 15261.09099 6780.662458 18655.63032 8732.724696 29642.12822 21706.62722 8273.479388 17748.54595 11765.60377 28118.35984 16471.21604 18081.40327 23484.62127 10977.79689 3577.5526 8585.736441 14646.48862 12512.40789 24615.46771 20516.03666 22575.58831 14053.98795 7233.144534 17151.54452 11327.74894 7508.656164 13543.53311 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 8917.907728 19470.16506 31965.63982 13687.12652 33534.87686 20675.90334 7489.334194 14889.90024 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 Pseudouridine 1906969.995 2939966.483 2472638.807 3013734.287 3032445.074 2787113.62 3779488.707 3100642.718 3497568.52 1893652.519 2891456.827 2007115.752 2043211.018 2961712.075 2159642.103 3431994.714 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 2911700.162 2565215.793 3123007.893 2335096.393 3166996.406 3626570.91 1991053.205 3023021.02 2219513.739 3034735.962 2921480.065 1914751.371 2445098.287 2773303.363 3920613.193 1923562.239 2923519.798 2746228.234 2653267.421 2256300.052 3458059.565 4233111.531 3629566.702 2742017.072 3666479.422 1842638.828 2787499.72 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 4009268.281 2914913.868 2441861.994 2786978.574 4840499.405 2909206.146 1811487.457 2686441.904 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 Pyruvic acid 98823.7817 469109.283 263331.7744 532546.251 570922.0074 400122.5402 479495.1917 479742.501 400691.8323 112671.2663 492216.4842 379340.1376 445026.4552 624307.1072 328013.7737 574924.1773 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 521571.1041 281109.891 604233.6458 393389.4416 1258423.577 538095.2726 106979.642 521847.1444 368735.2972 418292.1906 521091.5668 390665.2025 852228.0351 489839.4971 133942.6333 99931.314 545182.8308 471975.5812 592191.8286 545366.1578 708559.0252 287605.1522 561978.812 996663.7405 463922.7623 100371.063 526751.3491 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 464352.9239 542959.508 333323.0166 319509.6879 467402.9508 771840.9496 105375.3104 480871.4412 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 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 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 Ribose 5-phosphate N/A 54290.14579 43858.143 33144.44129 54422.26742 45016.13948 35408.34642 43057.06238 112115.2042 N/A 67497.71337 71030.84765 56989.60997 37574.61248 87923.73554 54600.30264 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 72796.02127 43808.65241 44567.43727 40595.00488 74546.76348 41738.99929 N/A 67366.43986 36902.76823 94373.0262 35678.83442 41556.34648 55312.0077 72462.05601 34307.64029 N/A 62432.14882 77684.57683 51657.79236 176780.3068 62662.4889 49600.25954 77135.91829 59758.29319 82846.02248 N/A 42532.45547 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 76560.20898 133404.7227 58232.49185 94082.10614 71461.20302 46669.90903 N/A 60677.25427 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 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 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 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 Suberic acid 485426.1341 1240199.324 185457.0279 102588.0755 106516.2884 101173.988 130153.7166 88268.56328 88731.98179 563620.2214 1273552.666 86934.68591 137775.0771 89770.26167 66057.24892 100584.3661 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 127081.9813 94374.26062 201389.1109 185560.5812 122810.0859 109309.2948 507363.4864 1395669.624 103625.9762 116846.1427 170647.997 108121.3932 127824.6974 110068.2236 119436.8705 490559.1332 1393498.169 119785.0579 114455.1993 83057.62521 127241.1928 116693.4709 104892.8057 320797.3097 175186.1842 459444.099 1325973.64 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 245021.9757 88949.20108 109849.977 109741.8263 105213.0761 68258.08242 520726.6844 1229034.002 Succinic acid 2664723.809 2232361.182 870605.5745 583844.6977 8383946.97 877283.9218 762832.8903 784198.7939 1178912.938 2464802.064 2866215.278 742755.7155 1325980.901 930690.5666 1266339.674 854212.9954 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 999678.0432 1132145.521 904110.3238 1388106.66 1492083.149 1134140.015 2449626.346 2404832.715 632190.0709 1210033.912 908313.6457 925194.5179 985941.1755 903843.708 1206493.573 2413114.062 2563683.212 1435149.388 1123703.802 880707.4641 1676234.754 1080828.541 991528.9282 1809049.824 1248407.1 2351849.94 2261282.321 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 1583348.085 1161952.556 1184471.451 1049106.582 1571687.6 864109.6989 2321413.323 2211427.709 Sucrose 136394.3778 204830.3815 69850.89409 123051.3892 41825.1499 554074.5513 77537.49732 59446.46873 504391.0711 129471.4682 200470.4833 29403.16552 228297.3466 109025.1757 32407.40487 118370.5401 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 64507.0392 350506.6834 131281.8347 51009.86825 54192.379 48935.64281 123788.5014 199277.2063 44879.01662 80980.14407 211643.0536 41914.60124 49619.39026 31683.16093 77803.02585 129595.3843 196745.14 28346.51391 50676.76314 152148.6377 162318.0324 242149.5017 97667.38782 48884.21641 80806.06871 122756.7756 176682.9912 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 122210.4796 147271.8096 40586.7989 59209.78899 638426.7059 102097.1796 121503.8836 180426.347 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 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 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 Theophylline 776963.7029 617879.0735 138971.814 2930940.713 1130575.688 233887.1819 1313210.242 260894.4779 597467.3435 759994.6823 619805.0291 53342.23764 55407.20011 473806.814 843801.605 1298329.56 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 1471345.214 755756.0497 5324314.436 436094.7914 558786.4945 1235219.815 742199.8822 592062.9725 N/A 4711.765034 63951.50136 2866.574255 477082.0105 1952709.569 57804.49702 771574.7433 598897.8807 118004.1271 1219013.221 233763.6807 110857.1619 50769.8606 333039.8583 4836.496394 305505.859 761952.29 529419.1683 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 25425.6416 842666.8798 2215.698619 464617.725 305988.0302 113994.884 686894.7206 561122.6603 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 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 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 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 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 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 UDP-N-acetylglucosamine N/A 45615.87812 3526.78414 6030.937673 21869.6787 9356.689734 14442.49631 15370.96595 210272.7794 N/A 51657.02124 106290.4873 59845.40041 12039.84933 175330.0739 32180.37327 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 85290.27184 15772.33596 3266.808724 4410.039831 177116.6516 6405.503856 N/A 51812.34717 8714.423044 92118.40246 8989.716092 10335.59054 51125.71441 47622.51197 3801.084501 N/A 51061.1162 46311.13333 66518.2405 25377.95871 69980.4091 21127.5552 161211.2099 12528.65016 141274.7588 N/A 42178.34794 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 70987.92012 92329.78963 37491.96778 265809.1575 179856.1402 15702.49163 N/A 46292.83481 UDP-glucose N/A 59568.31113 11197.94708 8973.930693 26414.41958 12246.29967 6428.425043 14090.95355 219044.6924 N/A 69363.90398 152600.5493 72352.37871 9147.0007 236326.9329 46635.68221 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 218505.06 15485.37595 16083.26741 N/A 278900.9045 N/A N/A 60467.71328 8203.580321 114761.2842 N/A N/A 101450.0545 67342.9285 N/A N/A 60051.68874 102609.0462 82719.51843 19543.83801 163086.5077 28342.96475 209591.183 27805.80882 128869.9187 N/A 61516.97441 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 69732.71592 159654.5718 35222.56154 428263.5104 465003.6183 16852.84214 N/A 54412.16115 Uracil N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Uric acid 31464786.83 32344131.73 34791314.39 39163548.01 31799626.89 22866756.57 31051435.24 24663533.94 36479403.68 29386564.65 31951221.83 27215122.96 28086887.79 37107568.94 33841850.57 37490872.14 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 32872964.83 24168411.84 35806238.69 28711887.59 52105712.57 40474024.08 31163837.98 32625900.37 23889254.21 22208735.78 31709745.42 31897874.2 36689703.19 26217742.77 29442276.21 29858416.7 32528273.05 29349128.53 26970382.33 22935789.3 35452310.88 31927270.72 30742140.12 29461383.2 28102690.92 28927049.29 31742031.17 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 41264337.25 27700119.3 22104108.6 25343322.59 31791997.68 32539988.52 26504304.05 29591084.27 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 Xanthine 1920606.502 469591.4502 289880.4852 352005.1731 4158694.484 283182.4749 477557.6275 362054.9016 454071.788 1755928.809 482703.5051 368426.765 249862.261 277653.0257 368380.5585 323224.5793 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 412849.504 195496.8856 267305.4418 275159.0068 405570.9111 602494.0784 1639822.722 481535.3254 377221.7849 506443.6023 391169.6708 437949.948 636001.8407 378064.7325 383480.9232 1629894.191 475042.5826 358814.0232 300796.4897 577718.0698 202457.4741 205381.8372 224723.8609 504796.9951 338632.0452 1503632.953 476394.4577 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 445131.7354 289797.3017 264332.5343 316014.3823 307603.1532 216580.5609 1418285.986 457083.8526 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 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 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 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 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name REFMET_ID HMDB ID 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 C7H6O4 154.0266 Benzenoids Benzenes Hydroxybenzoic acids 19 18026 HMDB0000397 C00196 GLDQAMYCGOIJDV-UHFFFAOYSA-N RM0041578 Phosphoglyceric Acid RM0013474 HMDB0000362 C3H7O7P 185.9929 Organic acids Short-chain acids Short-chain acids - - - - - - RM0013474 alpha-Aminoadipic acid RM0134983 HMDB00510 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 C5H8O5 148.0372 Fatty Acyls Fatty acids Dicarboxylic acids 43 17084 HMDB0059655 LMFA01050483 C02630 HWXBTNAVRSUOJR-UHFFFAOYSA-N RM0153554 2-Hydroxyisobutyric acid RM0139716 HMDB00729 C4H8O3 104.0473 Fatty Acyls Fatty acids Hydroxy FA 11671 50129 HMDB0000729 LMFA01050417 BWLBGMIXKSTLSX-UHFFFAOYSA-N RM0139716 2-Hydroxy-3-methylbutyric acid RM0153673 HMDB00407 C5H10O3 118.063 Fatty Acyls Fatty acids Hydroxy FA 853180 60631 HMDB0000407 LMFA01050390 NGEWQZIDQIYUNV-BYPYZUCNSA-N RM0153673 2-Hydroxyphenylacetic acid RM0133220 HMDB62635 C8H8O3 152.0473 Organic acids Phenylpropanoids Cinnamic acids 11970 28478 HMDB0000669 C05852 CCVYRRGZDBSHFU-UHFFFAOYSA-N RM0133220 2-Isopropylmalic acid RM0153706 HMDB00402 C7H12O5 176.0685 Fatty Acyls Fatty acids Hydroxy FA 5280523 35128 HMDB0000402 LMFA01170083 C02504 BITYXLXUCSKTJS-ZETCQYMHSA-N RM0153706 2-Methylglutaric acid RM0074032 HMDB00422 C6H10O4 146.0579 Fatty Acyls Fatty acids Dicarboxylic acids 12046 68567 HMDB0000422 LMFA01170084 AQYCMVICBNBXNA-UHFFFAOYSA-N RM0074032 3-Methyl pyruvic acid RM0153036 HMDB00005 C4H6O3 102.0317 Fatty Acyls Fatty acids Oxo FA 58 30831 HMDB0000005 LMFA01060002 C00109 TYEYBOSBBBHJIV-UHFFFAOYSA-N RM0153036 Ketoleucine RM0135977 HMDB00695 C6H10O3 130.063 Organic acids Keto acids Short-chain keto acids 70 48430 HMDB0000695 C00233 BKAJNAXTPSGJCU-UHFFFAOYSA-N RM0135977 Desaminotyrosine RM0050309 HMDB02199 C9H10O3 166.063 Organic acids Phenylpropanoids Cinnamic acids 10394 32980 HMDB0002199 C01744 NMHMNPHRMNGLLB-UHFFFAOYSA-N RM0050309 3-Aminoisobutanoic acid RM0153208 HMDB0000440/HMDB60390 C4H9NO2 103.0633 Fatty Acyls Fatty acids Amino FA 64956 142590 HMDB0003911 LMFA01100054 C05145 QCHPKSFMDHPSNR-UHFFFAOYSA-N RM0153208 3R-Hydroxybutyric acid RM0152271 HMDB0000011 C4H8O3 104.0473 Fatty Acyls Fatty acids Hydroxy FA 92135 17066 HMDB0000011 LMFA01050243 C01089 WHBMMWSBFZVSSR-GSVOUGTGSA-N RM0152271 3-Hydroxyanthranilic acid RM0136103 HMDB01476 C7H7NO3 153.0426 Benzenoids Benzenes Hydroxybenzoic acids 86 15793 HMDB0001476 C00632 WJXSWCUQABXPFS-UHFFFAOYSA-N RM0136103 trans-p-Coumaric acid RM0049546 HMDB02035 C9H8O3 164.0473 Organic acids Phenylpropanoids Cinnamic acids 637542 32374 HMDB0002035 C00811 NGSWKAQJJWESNS-ZZXKWVIFSA-N RM0049546 3-Hydroxyisovaleric acid RM0152879 HMDB00754 C5H10O3 118.063 Fatty Acyls Fatty acids Hydroxy FA 69362 37084 HMDB0000754 LMFA01050396 AXFYFNCPONWUHW-UHFFFAOYSA-N RM0152879 Hydroxypropionic acid RM0139419 HMDB00700 C3H6O3 90.0317 Fatty Acyls Fatty acids Hydroxy FA RM0139419 Indoxyl sulfate RM0135976 HMDB00682 C8H7NO4S 213.0096 Alkaloids Tryptophan alkaloids Simple indole alkaloids 10258 43355 HMDB0000682 BXFFHSIDQOFMLE-UHFFFAOYSA-N RM0135976 Isopropylmalic acid RM0140414 HMDB12156 C7H12O5 176.0685 Fatty Acyls Fatty acids Hydroxy FA RM0140414 3-Hydroxymethylglutaric acid RM0155771 HMDB0000355 C6H10O5 162.0528 Fatty Acyls Fatty acids Dicarboxylic acids 1662 16831 HMDB0000355 C03761 NPOAOTPXWNWTSH-UHFFFAOYSA-N RM0155771 3-Sulfino-alanine RM0136787 HMDB0000996 C3H7NO4S 153.0096 Organic acids Amino acids and peptides Amino acids 1549098 16345 HMDB0000996 C00606 ADVPTQAUNPRNPO-REOHCLBHSA-N RM0136787 4-Hydroxybenzoic acid RM0135960 HMDB00500 C7H6O3 138.0317 Benzenoids Benzenes Hydroxybenzoic acids 135 30763 HMDB0000500 C00156 FJKROLUGYXJWQN-UHFFFAOYSA-N RM0135960 4-Pyridoxic acid RM0030084 HMDB00017 C8H9NO4 183.0532 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 6723 17405 HMDB0000017 C00847 HXACOUQIXZGNBF-UHFFFAOYSA-N RM0030084 5-Hydroxyindoleacetic acid RM0135989 HMDB00763 C10H9NO3 191.0582 Alkaloids Tryptophan alkaloids Indoleacetic acids 1826 27823 HMDB0000763 C05635 DUUGKQCEGZLZNO-UHFFFAOYSA-N RM0135989 Ribothymidine RM0138932 HMDB00884 C10H14N2O6 258.0852 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 445408 45996 HMDB0000884 DWRXFEITVBNRMK-JXOAFFINSA-N RM0138932 6-Phosphogluconic acid RM0155882 HMDB0001316 C6H13O10P 276.0246 Carbohydrates Monosaccharides Hexose phosphates 91493 48928 HMDB0001316 C00345 BIRSGZKFKXLSJQ-SQOUGZDYSA-N RM0155882 Acetylphosphate RM0136104 HMDB01494 C2H5O5P 139.9875 Organic acids Organic phosphoric acids Phosphate esters 186 15350 HMDB0001494 C00227 LIPOUNRJVLNBCD-UHFFFAOYSA-N RM0136104 Adenine RM0049281 HMDB00034 C5H5N5 135.0545 Nucleic acids Purines Aminopurines 190 16708 HMDB0000034 C00147 GFFGJBXGBJISGV-UHFFFAOYSA-N RM0049281 Adenylsuccinic acid RM0137319 HMDB00536 C14H18N5O11P 463.074 Nucleic acids Purines Purine rNMP 447145 15919 HMDB0000536 C03794 OFBHPPMPBOJXRT-VWJPMABRSA-N RM0137319 Adipic acid RM0149937 HMDB00448/HMDB00752 C6H10O4 146.0579 Fatty Acyls Fatty acids Dicarboxylic acids 196 30832 HMDB0000448 LMFA01170048 C06104 WNLRTRBMVRJNCN-UHFFFAOYSA-N RM0149937 ADP RM0032913 HMDB01341 C10H15N5O10P2 427.0294 Nucleic acids Purines Purine rNDP 6022 16761 HMDB0001341 C00008 XTWYTFMLZFPYCI-KQYNXXCUSA-N RM0032913 Allantoin RM0118303 HMDB00462 C4H6N4O3 158.044 Organoheterocyclic compounds Cyclic ureas Ureides 439714 15678 HMDB0000462 POJWUDADGALRAB-SFOWXEAESA-N RM0118303 Allopurinol RM0032940 HMDB14581 C5H4N4O 136.0385 Nucleic acids Pyrimidines Other pyrimidines 135401907 40279 HMDB0014581 OFCNXPDARWKPPY-UHFFFAOYSA-N RM0032940 2-Oxoglutaric acid RM0135911 HMDB00208 C5H6O5 146.0215 Organic acids TCA acids TCA acids 51 30915 HMDB0000208 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N RM0135911 Phenylglyoxylic acid RM0136116 HMDB0001587 C8H6O3 150.0317 Benzenoids Phenylacetic acids Phenylacetic acids 11915 18280 HMDB0001587 C02137 FAQJJMHZNSSFSM-UHFFFAOYSA-N RM0136116 alpha-Tocopherol RM0135430 HMDB01893 C29H50O2 430.3811 Prenol Lipids Quinones and hydroquinones Vitamin E 14985 18145 HMDB0001893 LMPR02020001 C02477 GVJHHUAWPYXKBD-IEOSBIPESA-N RM0135430 AMP RM0138921 HMDB00045 C10H14N5O7P 347.0631 Nucleic acids Purines Purine rNMP 6083 16027 HMDB0000045 C00020 UDMBCSSLTHHNCD-KQYNXXCUSA-N RM0138921 2-Aminobenzoic acid RM0013238 HMDB01123 C7H7NO2 137.0477 Benzenoids Benzenes Aminobenzoic acids 227 30754 HMDB0001123 C00108 RWZYAGGXGHYGMB-UHFFFAOYSA-N RM0013238 Arabitol RM0135975 HMDB00568 C5H12O5 152.0685 Carbohydrates Monosaccharides Sugar alcohols 94154 18333 HMDB0000568 C01904 HEBKCHPVOIAQTA-QWWZWVQMSA-N RM0135975 Arachidonic acid RM0153612 HMDB0001043 C20H32O2 304.2402 Fatty Acyls Fatty acids Unsaturated FA 444899 15843 HMDB0001043 LMFA01030001 C00219 YZXBAPSDXZZRGB-DOFZRALJSA-N RM0153612 Vitamin C RM0118068 HMDB00044 C6H8O6 176.0321 Organoheterocyclic compounds Lactones Gamma butyrolactones 54670067 29073 HMDB0000044 C00072 CIWBSHSKHKDKBQ-JLAZNSOCSA-N RM0118068 ATP RM0138930 HMDB00538 C10H16N5O13P3 506.9958 Nucleic acids Purines Purine rNTP 5957 15422 HMDB0000538 C00002 ZKHQWZAMYRWXGA-KQYNXXCUSA-N RM0138930 Azelaic acid RM0153048 HMDB00784 C9H16O4 188.1049 Fatty Acyls Fatty acids Dicarboxylic acids 2266 48131 HMDB0000784 LMFA01170054 C08261 BDJRBEYXGGNYIS-UHFFFAOYSA-N RM0153048 Muricholic acid RM0159931 HMDB00865 C24H40O5 408.2876 Sterol Lipids Bile acids C24 Bile acids 119473 134216 HMDB0000865 DKPMWHFRUGMUKF-JDDNAIEOSA-N RM0159931 Biotin RM0028735 HMDB00030 C10H16N2O3S 244.0882 Organoheterocyclic compounds Heterocyclic compounds Biotins 171548 15956 HMDB0000030 C00120 YBJHBAHKTGYVGT-ZKWXMUAHSA-N RM0028735 "3',5' cyclic GMP" RM0159092 HMDB01314 C10H12N5O7P 345.0474 Nucleic acids Purines Purine rNMP 135398570 16356 HMDB0001314 C00942 ZOOGRGPOEVQQDX-UUOKFMHZSA-N RM0159092 Chenodeoxycholic acid RM0135803 HMDB00518 C24H40O4 392.2927 Sterol Lipids Bile acids C24 Bile acids 10133 16755 HMDB0000518 LMST04010032 C02528 RUDATBOHQWOJDD-BSWAIDMHSA-N RM0135803 Cholesterol sulfate RM0135845 HMDB00653 C27H46O4S 466.3117 Sterol Lipids Sterols Cholesterols 65076 41321 HMDB0000653 LMST05020016 C18043 BHYOQNUELFTYRT-DPAQBDIFSA-N RM0135845 Cholic acid RM0135798 HMDB00619 C24H40O5 408.2876 Sterol Lipids Bile acids C24 Bile acids 221493 16359 HMDB0000619 LMST04010001 C00695 BHQCQFFYRZLCQQ-OELDTZBJSA-N RM0135798 cis-Aconitic acid RM0021619 HMDB00072 C6H6O6 174.0164 Organic acids TCA acids TCA acids 643757 32805 HMDB0000072 C00417 GTZCVFVGUGFEME-IWQZZHSRSA-N RM0021619 Citraconic acid RM0153097 HMDB00634 C5H6O4 130.0266 Fatty Acyls Fatty acids Dicarboxylic acids 643798 17626 HMDB0000634 LMFA01170099 C02226 HNEGQIOMVPPMNR-IHWYPQMZSA-N RM0153097 Citramalic acid RM0042389 HMDB0000426 C5H8O5 148.0372 Organic acids Hydroxy acids Beta hydroxy acids 441696 29003 HMDB0000426 C00815 XFTRTWQBIOMVPK-YFKPBYRVSA-N RM0042389 Citric acid RM0135884 HMDB00094 C6H8O7 192.027 Organic acids TCA acids TCA acids 311 30769 HMDB0000094 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N RM0135884 Citrulline RM0136022 HMDB00904 C6H13N3O3 175.0957 Organic acids Amino acids and peptides Amino acids 9750 16349 HMDB0000904 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N RM0136022 CMP RM0138923 HMDB00095 C9H14N3O8P 323.0519 Nucleic acids Pyrimidines Pyrimidine rNMP 6131 17361 HMDB0000095 C00055 IERHLVCPSMICTF-XVFCMESISA-N RM0138923 Cortisol RM0135767 HMDB0000063 C21H30O5 362.2093 Sterol Lipids Steroids C21 Steroids 5754 17650 HMDB0000063 LMST02030001 C00735 JYGXADMDTFJGBT-VWUMJDOOSA-N RM0135767 CTP RM0135881 HMDB00082 C9H16N3O14P3 482.9845 Nucleic acids Pyrimidines Pyrimidine rNTP 6176 17677 HMDB0000082 C00063 PCDQPRRSZKQHHS-XVFCMESISA-N RM0135881 Cystathionine RM0135885 HMDB00099 C7H14N2O4S 222.0674 Organic acids Amino acids and peptides Amino acids 439258 17482 HMDB0000099 C02291 ILRYLPWNYFXEMH-WHFBIAKZSA-N RM0135885 Cysteine-S-sulfate RM0041317 HMDB00731 C3H7NO5S2 200.9766 Organic acids Amino acids and peptides Amino acids 115015 27891 HMDB0000731 C05824 NOKPBJYHPHHWAN-REOHCLBHSA-N RM0041317 dATP RM0028587 HMDB0001532 C10H16N5O12P3 491.0008 Nucleic acids Purines Purine dNTP 15993 16284 HMDB0001532 C00131 SUYVUBYJARFZHO-RRKCRQDMSA-N RM0028587 dCDP RM0042981 HMDB01245 C9H15N3O10P2 387.0233 Nucleic acids Pyrimidines Pyrimidine dNDP 150855 28846 HMDB0001245 C00705 FTDHDKPUHBLBTL-SHYZEUOFSA-N RM0042981 dCMP RM0136074 HMDB01202 C9H14N3O7P 307.0569 Nucleic acids Pyrimidines Pyrimidine dNMP 13945 15918 HMDB0001202 C00239 NCMVOABPESMRCP-SHYZEUOFSA-N RM0136074 dCTP RM0136028 HMDB0000998 C9H16N3O13P3 466.9896 Nucleic acids Pyrimidines Pyrimidine dNTP 65091 16311 HMDB0000998 C00458 RGWHQCVHVJXOKC-SHYZEUOFSA-N RM0136028 Deoxycholic acid RM0126048 HMDB00626 C24H40O4 392.2927 Sterol Lipids Bile acids C24 Bile acids 222528 28834 HMDB0000626 LMST04010040 C04483 KXGVEGMKQFWNSR-LLQZFEROSA-N RM0126048 Dihydroxyacetone phosphate RM0115777 HMDB01473 C3H7O6P 169.998 Organic acids Short-chain acids Short-chain acids 668 16108 HMDB0001473 C00111 GNGACRATGGDKBX-UHFFFAOYSA-N RM0115777 D-Leucic acid RM0153385 HMDB00624 C6H12O3 132.0786 Fatty Acyls Fatty acids Hydroxy FA 439960 55534 HMDB0000624 LMFA01050402 C03264 LVRFTAZAXQPQHI-RXMQYKEDSA-N RM0153385 Dopamine RM0135878 HMDB00073 C8H11NO2 153.079 Alkaloids Tyrosine alkaloids Phenylethylamines 681 18243 HMDB0000073 C03758 VYFYYTLLBUKUHU-UHFFFAOYSA-N RM0135878 dTMP RM0156978 HMDB01227 C10H15N2O8P 322.0566 Nucleic acids Pyrimidines Pyrimidine dNMP 9700 17013 HMDB0001227 C00364 GYOZYWVXFNDGLU-XLPZGREQSA-N RM0156978 dUMP RM0136095 HMDB01409 C9H13N2O8P 308.041 Nucleic acids Pyrimidines Pyrimidine dNMP 65063 17622 HMDB0001409 C00365 JSRLJPSBLDHEIO-SHYZEUOFSA-N RM0136095 dUTP RM0136070 HMDB01191 C9H15N2O14P3 467.9736 Nucleic acids Pyrimidines Pyrimidine dNTP 65070 17625 HMDB0001191 C00460 AHCYMLUZIRLXAA-SHYZEUOFSA-N RM0136070 Erythronic acid RM0041611 HMDB00613/HMDB000943 C4H8O5 136.0372 Carbohydrates Monosaccharides Sugar acids 2781043 37655 HMDB0000613 JPIJQSOTBSSVTP-PWNYCUMCSA-N RM0041611 Erythrose RM0171550 HMDB02649 C4H8O4 120.0423 Carbohydrates Monosaccharides Tetroses 94176 27904 HMDB0002649 C01796 YTBSYETUWUMLBZ-IUYQGCFVSA-N RM0171550 Erythrose 4-phosphate RM0155934 HMDB01321 C4H9O7P 200.0086 Carbohydrates Monosaccharides Monosaccharide phosphates 122357 48153 HMDB0001321 C00279 NGHMDNPXVRFFGS-IUYQGCFVSA-N RM0155934 Ethylmalonic acid RM0153926 HMDB00622 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 C6H14O12P2 339.9961 Carbohydrates Monosaccharides Hexose phosphates 172313 37736 HMDB0001058 C00354 RNBGYGVWRKECFJ-VRPWFDPXSA-N RM0109018 Fructose RM0136734 HMDB00660 C6H12O6 180.0634 Carbohydrates Monosaccharides Hexoses 2723872 37714 HMDB0062538 C00095 LKDRXBCSQODPBY-VRPWFDPXSA-N RM0136734 Fumaric acid RM0135891 HMDB00134 C4H4O4 116.011 Organic acids TCA acids TCA acids 444972 18012 HMDB0000134 C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N RM0135891 Glucose 1-phosphate RM0034128 HMDB01586/HMDB01076/HMDB00124 C6H13O9P 260.0297 Carbohydrates Monosaccharides Hexose phosphates 65533 29042 HMDB0001586 C00103 HXXFSFRBOHSIMQ-VFUOTHLCSA-N RM0034128 Glucose 6-phosphate RM0136106 HMDB0001401 C6H13O9P 260.0297 Carbohydrates Monosaccharides Hexose phosphates 5958 4170 HMDB0001401 C00092 NBSCHQHZLSJFNQ-GASJEMHNSA-N RM0136106 gamma-Aminobutyric acid RM0153263 HMDB0000112 C4H9NO2 103.0633 Fatty Acyls Fatty acids Amino FA 119 16865 HMDB0000112 LMFA01100039 C00334 BTCSSZJGUNDROE-UHFFFAOYSA-N RM0153263 gamma-Tocopherol RM0157563 HMDB01492 C28H48O2 416.3654 Prenol Lipids Quinones and hydroquinones Vitamin E 92729 18185 HMDB0001492 LMPR02020065 C02483 QUEDXNHFTDJVIY-DQCZWYHMSA-N RM0157563 GDP RM0033168 HMDB01201 C10H15N5O11P2 443.0243 Nucleic acids Purines Purine rNDP 135398619 17552 HMDB0001201 C00035 QGWNDRXFNXRZMB-UUOKFMHZSA-N RM0033168 Gentisic acid RM0050559 HMDB00152 C7H6O4 154.0266 Benzenoids Benzenes Hydroxybenzoic acids 3469 17189 HMDB0000152 C00628 WXTMDXOMEHJXQO-UHFFFAOYSA-N RM0050559 Geranyl diphosphate RM0158253 HMDB01285 C10H20O7P2 314.0684 Prenol Lipids Isoprenoids C10 isoprenoids 445995 17211 HMDB0001285 LMPR0102010001 C00341 GVVPGTZRZFNKDS-JXMROGBWSA-N RM0158253 Gibberellin A3 RM0138848 HMDB03559 C19H22O6 346.1416 Prenol Lipids Isoprenoids C20 isoprenoids 439551 28833 HMDB0003559 LMPR0104170002 C01699 IXORZMNAPKEEDV-OBDJNFEBSA-N RM0138848 Glucuronic acid RM0155912 HMDB00127 C6H10O7 194.0427 Carbohydrates Monosaccharides Sugar acids 94715 47952 HMDB0000127 C00191 AEMOLEFTQBMNLQ-AQKNRBDQSA-N RM0155912 Glucosamine 6-phosphate RM0136090 HMDB0001254 C6H14NO8P 259.0457 Carbohydrates Monosaccharides Amino sugars 439217 15873 HMDB0001254 C00352 XHMJOUIAFHJHBW-UKFBFLRUSA-N RM0136090 Glucose RM0135901 HMDB00122 C6H12O6 180.0634 Carbohydrates Monosaccharides Hexoses 5793 4167 HMDB0304632 C00031 WQZGKKKJIJFFOK-GASJEMHNSA-N RM0135901 Glutaric acid RM0155778 HMDB00661 C5H8O4 132.0423 Fatty Acyls Fatty acids Dicarboxylic acids 743 17859 HMDB0000661 C00489 JFCQEDHGNNZCLN-UHFFFAOYSA-N RM0155778 Glyceraldehyde RM0034698 HMDB01051 C3H6O3 90.0317 Carbohydrates Monosaccharides Trioses 79014 17378 HMDB0001051 MNQZXJOMYWMBOU-VKHMYHEASA-N RM0034698 Glyceric acid RM0135902 HMDB00139 C3H6O4 106.0266 Carbohydrates Monosaccharides Sugar acids 439194 32398 HMDB0000139 C00258 RBNPOMFGQQGHHO-UWTATZPHSA-N RM0135902 sn-Glycero-3-phosphate RM0160118 HMDB00126 C3H9O6P 172.0137 Organic acids Organic phosphoric acids Organic phosphoric acids 439162 15978 HMDB0000126 C00093 AWUCVROLDVIAJX-GSVOUGTGSA-N RM0160118 Glycochenodeoxycholic acid RM0135850 HMDB00637 C26H43NO5 449.3141 Sterol Lipids Bile acids C24 Bile acids 12544 36274 HMDB0000637 LMST05030008 C05466 GHCZAUBVMUEKKP-GYPHWSFCSA-N RM0135850 Glycocholic acid RM0135849 HMDB00138 C26H43NO6 465.309 Sterol Lipids Bile acids C24 Bile acids 10140 17687 HMDB0000138 LMST05030001 C01921 RFDAIACWWDREDC-FRVQLJSFSA-N RM0135849 Glycolic acid RM0136958 HMDB00115 C2H4O3 76.016 Fatty Acyls Fatty acids Hydroxy FA 757 17497 HMDB0000115 C00160 AEMRFAOFKBGASW-UHFFFAOYSA-N RM0136958 GTP RM0136084 HMDB01273 C10H16N5O14P3 522.9907 Nucleic acids Purines Purine rNTP 135398633 15996 HMDB0001273 C00044 XKMLYUALXHKNFT-UUOKFMHZSA-N RM0136084 Guanidoacetic acid RM0040234 HMDB00128 C3H7N3O2 117.0538 Organic acids Amino acids and peptides Amino acids 763 16344 HMDB0000128 C00581 BPMFZUMJYQTVII-UHFFFAOYSA-N RM0040234 Hippuric acid RM0135980 HMDB00714 C9H9NO3 179.0582 Benzenoids Benzamides Hippuric acids 464 18089 HMDB0000714 C01586 QIAFMBKCNZACKA-UHFFFAOYSA-N RM0135980 Homogentisic acid RM0135890 HMDB00130 C8H8O4 168.0423 Benzenoids Benzenes Hydroxybenzoic acids 780 44747 HMDB0000130 C00544 IGMNYECMUMZDDF-UHFFFAOYSA-N RM0135890 Homovanillic acid RM0042979 HMDB00118 C9H10O4 182.0579 Benzenoids Benzenes Hydroxybenzoic acids 1738 545959 HMDB0000118 C05582 QRMZSPFSDQBLIX-UHFFFAOYSA-N RM0042979 Hydrocinnamic acid RM0028119 HMDB00764 C9H10O2 150.0681 Organic acids Phenylpropanoids Cinnamic acids 107 28631 HMDB0000764 C05629 XMIIGOLPHOKFCH-UHFFFAOYSA-N RM0028119 Hypoxanthine RM0135895 HMDB00157 C5H4N4O 136.0385 Nucleic acids Purines Hypoxanthines 135398638 17368 HMDB0000157 C00262 FDGQSTZJBFJUBT-UHFFFAOYSA-N RM0135895 IMP RM0000534 HMDB00175 C10H13N4O8P 348.0471 Nucleic acids Purines Purine rNMP 135398640 17202 HMDB0000175 C00130 GRSZFWQUAKGDAV-KQYNXXCUSA-N RM0000534 Indole-2-carboxylic acid RM0189436 HMDB02285 C9H7NO2 161.0477 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 72899 130363 HMDB0002285 HCUARRIEZVDMPT-UHFFFAOYSA-N RM0189436 Indoleacetic acid RM0135909 HMDB00197 C10H9NO2 175.0633 Alkaloids Tryptophan alkaloids Indoleacetic acids 802 16411 HMDB0000197 C00954 SEOVTRFCIGRIMH-UHFFFAOYSA-N RM0135909 Indole-3-carboxylic acid RM0040827 HMDB03320 C9H7NO2 161.0477 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 69867 24809 HMDB0003320 C19837 KMAKOBLIOCQGJP-UHFFFAOYSA-N RM0040827 Indolelactic acid RM0044363 HMDB00671 C11H11NO3 205.0739 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 676158 55528 HMDB0000671 XGILAAMKEQUXLS-SNVBAGLBSA-N RM0044363 3-Indolepropionic acid RM0136180 HMDB02302 C11H11NO2 189.079 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 3744 43580 HMDB0002302 GOLXRNDWAUTYKT-UHFFFAOYSA-N RM0136180 Indolepyruvic acid RM0028186 HMDB60484 C11H9NO3 203.0582 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 803 29750 HMDB0060484 C00331 RSTKLPZEZYGQPY-UHFFFAOYSA-N RM0028186 Myo-inositol RM0136735 HMDB00211 C6H12O6 180.0634 Organic oxygen compounds Alcohols and polyols Inositols 892 17268 HMDB0000211 C00137 CDAISMWEOUEBRE-GPIVLXJGSA-N RM0136735 Isovaleric acid RM0153214 HMDB00718/HMDB0001259 C5H10O2 102.0681 Fatty Acyls Fatty acids Branched FA 10430 28484 HMDB0000718 LMFA01020181 C08262 GWYFCOCPABKNJV-UHFFFAOYSA-N RM0153214 Itaconic acid RM0152814 HMDB02092 C5H6O4 130.0266 Fatty Acyls Fatty acids Dicarboxylic acids 811 30838 HMDB0002092 LMFA01170063 C00490 LVHBHZANLOWSRM-UHFFFAOYSA-N RM0152814 Kynurenic acid RM0032431 HMDB0000715 C10H7NO3 189.0426 Alkaloids Anthranilic acid alkaloids Acridone alkaloids 3845 18344 HMDB0000715 C01717 HCZHHEIFKROPDY-UHFFFAOYSA-N RM0032431 Lactic acid RM0135904 HMDB00190 C3H6O3 90.0317 Organic acids Short-chain acids Short-chain acids 107689 422 HMDB0000190 C00186 JVTAAEKCZFNVCJ-REOHCLBHSA-N RM0135904 Lactose RM0155925 HMDB00186 C12H22O11 342.1162 Carbohydrates Disaccharides Disaccharides 440995 17716 HMDB0000186 C00243 GUBGYTABKSRVRQ-QKKXKWKRSA-N RM0155925 Linoleic acid RM0149976 HMDB00673 C18H32O2 280.2402 Fatty Acyls Fatty acids Unsaturated FA 5280450 17351 HMDB0000673 LMFA01030120 C01595 OYHQOLUKZRVURQ-HZJYTTRNSA-N RM0149976 alpha-Linolenic acid RM0152834 HMDB01388 C18H30O2 278.2246 Fatty Acyls Fatty acids Unsaturated FA 5280934 27432 HMDB0001388 LMFA01030152 C06427 DTOSIQBPPRVQHS-PDBXOOCHSA-N RM0152834 Mandelic acid RM0013328 HMDB00703 C8H8O3 152.0473 Organic acids Phenylpropanoids Cinnamic acids 439616 32800 HMDB0000703 C01984 IWYDHOAUDWTVEP-ZETCQYMHSA-N RM0013328 Tartaric acid RM0155949 HMDB59916 C4H6O6 150.0164 Carbohydrates Monosaccharides Sugar acids 444305 15671 HMDB0000956 C00898 FEWJPZIEWOKRBE-JCYAYHJZSA-N RM0155949 Malic acid RM0135894 HMDB00156 C4H6O5 134.0215 Organic acids TCA acids TCA acids 222656 30797 HMDB0000156 C00149 BJEPYKJPYRNKOW-REOHCLBHSA-N RM0135894 Maleic acid RM0153373 HMDB00176 C4H4O4 116.011 Fatty Acyls Fatty acids Dicarboxylic acids 444266 18300 HMDB0000176 C01384 VZCYOOQTPOCHFL-UPHRSURJSA-N RM0153373 Malondialdehyde RM0156013 HMDB06112 C3H4O2 72.0211 Organic oxygen compounds Carbonyl compounds Other carbonyl compounds 10964 566274 HMDB0006112 C19440 WSMYVTOQOOLQHP-UHFFFAOYSA-N RM0156013 Malonic acid RM0153291 HMDB00691 C3H4O4 104.011 Fatty Acyls Fatty acids Dicarboxylic acids 867 30794 HMDB0000691 LMFA01170041 C00383 OFOBLEOULBTSOW-UHFFFAOYSA-N RM0153291 Mannitol RM0155938 HMDB00765 C6H14O6 182.079 Carbohydrates Monosaccharides Sugar alcohols 6251 16899 HMDB0000765 C00392 FBPFZTCFMRRESA-KVTDHHQDSA-N RM0155938 Mannose RM0135630 HMDB00169 C6H12O6 180.0634 Carbohydrates Monosaccharides Hexoses 18950 4208 HMDB0000169 C00159 WQZGKKKJIJFFOK-QTVWNMPRSA-N RM0135630 Margaric acid RM0149933 HMDB02259 C17H34O2 270.2559 Fatty Acyls Fatty acids Saturated FA 10465 32365 HMDB0002259 LMFA01010017 KEMQGTRYUADPNZ-UHFFFAOYSA-N RM0149933 Melatonin RM0028432 HMDB01389 C13H16N2O2 232.1212 Alkaloids Tryptophan alkaloids Tryptamines 896 16796 HMDB0001389 C01598 DRLFMBDRBRZALE-UHFFFAOYSA-N RM0028432 Methylmalonic acid RM0152460 HMDB00202 C4H6O4 118.0266 Fatty Acyls Fatty acids Dicarboxylic acids 487 30860 HMDB0000202 LMFA01170118 C02170 ZIYVHBGGAOATLY-UHFFFAOYSA-N RM0152460 Methylsuccinic acid RM0134990 HMDB01844 C5H8O4 132.0423 Fatty Acyls Fatty acids Dicarboxylic acids 10349 91315 HMDB0001844 LMFA01170119 WXUAQHNMJWJLTG-UHFFFAOYSA-N RM0134990 Mevalonic acid RM0153668 HMDB00227 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 C9H12O7S 264.0304 Organic acids Organic sulfuric acids Arylsulfates 4183 137054 HMDB0000559 WUFPNASKMLJSND-UHFFFAOYSA-N RM0135967 Myristic acid RM0153483 HMDB0000806 C14H28O2 228.2089 Fatty Acyls Fatty acids Saturated FA 11005 28875 HMDB0000806 LMFA01010014 C06424 TUNFSRHWOTWDNC-UHFFFAOYSA-N RM0153483 N-Acetylalanine RM0135990 HMDB00766 C5H9NO3 131.0582 Organic acids Amino acids and peptides Amino acids 88064 40992 HMDB0000766 KTHDTJVBEPMMGL-VKHMYHEASA-N RM0135990 N-Acetylaspartic acid RM0136005 HMDB00812 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 C11H16N2O8 304.0907 Organic acids Amino acids and peptides Dipeptides 71120 191259 HMDB0001067 C12270 OPVPGKGADVGKTG-NKWVEPMBSA-N RM0027165 N-Acetylglycine RM0135964 HMDB00532 C4H7NO3 117.0426 Organic acids Amino acids and peptides Amino acids 10972 40410 HMDB0000532 OKJIRPAQVSHGFK-UHFFFAOYSA-N RM0135964 N-Acetylneuraminic acid RM0135920 HMDB00230 C11H19NO9 309.106 Carbohydrates Monosaccharides Sugar acids 445063 45744 HMDB0000230 C19910 SQVRNKJHWKZAKO-PFQGKNLYSA-N RM0135920 N-Acetylglutamic acid RM0136738 HMDB01138 C7H11NO5 189.0637 Organic acids Amino acids and peptides Amino acids 70914 17533 HMDB0001138 C00624 RFMMMVDNIPUKGG-YFKPBYRVSA-N RM0136738 N-Acetylglutamine RM0138125 HMDB06029 C7H12N2O4 188.0797 Organic acids Amino acids and peptides Amino acids 182230 21553 HMDB0006029 KSMRODHGGIIXDV-YFKPBYRVSA-N RM0138125 N-Acetylmethionine RM0161627 HMDB11745 C7H13NO3S 191.0616 Organic acids Amino acids and peptides Amino acids 448580 21557 HMDB0011745 C02712 XUYPXLNMDZIRQH-LURJTMIESA-N RM0161627 N-Acetylphenylalanine RM0138929 HMDB00512 C11H13NO3 207.0895 Organic acids Amino acids and peptides Amino acids 74839 16259 HMDB0000512 C03519 CBQJSKKFNMDLON-JTQLQIEISA-N RM0138929 N-Acetyltryptophan RM0162118 HMDB13713 C13H14N2O3 246.1004 Organic acids Amino acids and peptides Amino acids 700653 74640 HMDB0013713 DZTHIGRZJZPRDV-LBPRGKRZSA-N RM0162118 N-Acetyltyrosine RM0136012 HMDB00866 C11H13NO4 223.0845 Organic acids Amino acids and peptides Amino acids 68310 21563 HMDB0000866 C01657 CAHKINHBCWCHCF-JTQLQIEISA-N RM0136012 NADH RM0136399 HMDB01487 C21H29N7O14P2 665.1248 Nucleic acids Nicotinamides Nicotinamide dinucleotides 439153 16908 HMDB0001487 C00004 BOPGDPNILDQYTO-NNYOXOHSSA-N RM0136399 NADP RM0133216 HMDB00217 C21H28N7O17P3 743.0755 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5885 44409 HMDB0304435 C00006 XJLXINKUBYWONI-NNYOXOHSSA-N RM0133216 Ureidopropionic acid RM0135867 HMDB00026 C4H8N2O3 132.0535 Organic nitrogen compounds Organonitrogen compounds Ureas 111 18261 HMDB0000026 C02642 JSJWCHRYRHKBBW-UHFFFAOYSA-N RM0135867 N-Formylmethionine RM0136031 HMDB01015 C6H11NO3S 177.046 Organic acids Amino acids and peptides Amino acids 6995182 16552 HMDB0001015 C03145 PYUSHNKNPOHWEZ-RXMQYKEDSA-N RM0136031 Nicotinic acid RM0156700 HMDB01488 C6H5NO2 123.032 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 938 15940 HMDB0001488 C00253 PVNIIMVLHYAWGP-UHFFFAOYSA-N RM0156700 Isobutyrylglycine RM0048090 HMDB00730 C6H11NO3 145.0739 Organic acids Amino acids and peptides Amino acids 10855600 70979 HMDB0000730 DCICDMMXFIELDF-UHFFFAOYSA-N RM0048090 Isovalerylglycine RM0012553 HMDB00678 C7H13NO3 159.0895 Organic acids Amino acids and peptides Amino acids 546304 70984 HMDB0000678 ZRQXMKMBBMNNQC-UHFFFAOYSA-N RM0012553 4-Hydroxyphenylpyruvic acid RM0020531 HMDB00707 C9H8O4 180.0423 Organic acids Phenylpropanoids Cinnamic acids 979 15999 HMDB0000707 C01179 KKADPXVIOXHVKN-UHFFFAOYSA-N RM0020531 Phosphoethanolamine RM0060581 HMDB0000224 C2H8NO4P 141.0191 Organic acids Phosphate esters Phosphoethanolamines 1015 17553 HMDB0000224 C00346 SUHOOTKUPISOBE-UHFFFAOYSA-N RM0060581 Orotic acid RM0033030 HMDB00226 C5H4N2O4 156.0171 Nucleic acids Pyrimidines Pyrimidine carboxylic acids 967 16742 HMDB0000226 C00295 PXQPEWDEAKTCGB-UHFFFAOYSA-N RM0033030 Oxaloacetic acid RM0134987 HMDB00223 C4H4O5 132.0059 Organic acids TCA acids TCA acids 970 30744 HMDB0000223 LMFA01170120 C00036 KHPXUQMNIQBQEV-UHFFFAOYSA-N RM0134987 Oxidized glutathione RM0139022 HMDB03337 C20H32N6O12S2 612.152 Organic acids Amino acids and peptides Tripeptides 65359 17858 HMDB0003337 C00127 YPZRWBKMTBYPTK-BJDJZHNGSA-N RM0139022 Oxypurinol RM0156424 HMDB00786 C5H4N4O2 152.0334 Nucleic acids Purines Xanthines 135398752 28315 HMDB0000786 C07599 HXNFUBHNUDHIGC-UHFFFAOYSA-N RM0156424 Palmitic acid RM0153571 HMDB0000220 C16H32O2 256.2402 Fatty Acyls Fatty acids Saturated FA 985 15756 HMDB0000220 LMFA01010001 C00249 IPCSVZSSVZVIGE-UHFFFAOYSA-N RM0153571 trans-m-Coumaric acid RM0136110 HMDB01713 C9H8O3 164.0473 Organic acids Phenylpropanoids Cinnamic acids 637541 32357 HMDB0001713 C12621 KKSDGJDHHZEWEP-SNAWJCMRSA-N RM0136110 Pantothenic acid RM0136730 HMDB00210 C9H17NO5 219.1107 Organic acids Amino acids and peptides Amino acids 6613 46905 HMDB0000210 LMFA08020419 GHOKWGTUZJEAQD-ZETCQYMHSA-N RM0136730 Phosphoenolpyruvic acid RM0060576 HMDB00263 C3H5O6P 167.9824 Organic acids Short-chain acids Short-chain acids 1005 44897 HMDB0000263 C00074 DTBNBXWJWCWCIK-UHFFFAOYSA-N RM0060576 PGE2 RM0153758 HMDB0001220 C20H32O5 352.225 Fatty Acyls Eicosanoids Prostaglandins 5280360 15551 HMDB0001220 LMFA03010003 C00584 XEYBRNLFEZDVAW-ARSRFYASSA-N RM0153758 Phenylacetic acid RM0029184 HMDB00209 C8H8O2 136.0524 Organic acids Phenylpropanoids Cinnamic acids 999 30745 HMDB0000209 C07086 WLJVXDMOQOGPHL-UHFFFAOYSA-N RM0029184 alpha-N-Phenylacetylglutamine RM0056200 HMDB06344 C13H16N2O4 264.111 Organic acids Amino acids and peptides Amino acids 92258 17884 HMDB0006344 C04148 JFLIEFSWGNOPJJ-JTQLQIEISA-N RM0056200 Phenyllactic acid RM0012471 HMDB0000779 C9H10O3 166.063 Organic acids Phenylpropanoids Cinnamic acids 444718 43065 HMDB0000563 VOXXWSYKYCBWHO-QMMMGPOBSA-N RM0012471 Phosphoserine RM0135926 HMDB00272 C3H8NO6P 185.0089 Organic acids Amino acids and peptides Amino acids 68841 15811 HMDB0000272 C01005 BZQFBWGGLXLEPQ-REOHCLBHSA-N RM0135926 Picolinic acid RM0136177 HMDB0002243 C6H5NO2 123.032 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1018 28747 HMDB0002243 C10164 SIOXPEMLGUPBBT-UHFFFAOYSA-N RM0136177 Phenylpyruvic acid RM0040766 HMDB00205 C9H8O3 164.0473 Organic acids Phenylpropanoids Cinnamic acids 997 30851 HMDB0000205 C00166 BTNMPGBKDVTSJY-UHFFFAOYSA-N RM0040766 Phosphoribosyl pyrophosphate RM0155969 HMDB00280 C5H13O14P3 389.9518 Carbohydrates Monosaccharides Pentose phosphates 7339 17111 HMDB0000280 C00119 PQGCEDQWHSBAJP-TXICZTDVSA-N RM0155969 Pseudouridine RM0033386 HMDB00767 C9H12N2O6 244.0695 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 15047 17802 HMDB0000767 C02067 PTJWIQPHWPFNBW-GBNDHIKLSA-N RM0033386 Pyridoxal 5'-phosphate RM0156781 HMDB01491 C8H10NO6P 247.0246 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1051 18405 HMDB0001491 C00018 NGVDGCNFYWLIFO-UHFFFAOYSA-N RM0156781 Pyruvic acid RM0134967 HMDB00243 C3H4O3 88.016 Organic acids Short-chain acids Short-chain acids 1060 32816 HMDB0000243 LMFA01060077 C00022 LCTONWCANYUPML-UHFFFAOYSA-N RM0134967 Quinolinic acid RM0135916 HMDB0000232 C7H5NO4 167.0219 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1066 16675 HMDB0000232 C03722 GJAWHXHKYYXBSV-UHFFFAOYSA-N RM0135916 Glutathione RM0135889 HMDB00125 C10H17N3O6S 307.0838 Organic acids Amino acids and peptides Tripeptides 124886 16856 HMDB0000125 C00051 RWSXRVCMGQZWBV-WDSKDSINSA-N RM0135889 Retinoic acid RM0135419 HMDB01852 C20H28O2 300.2089 Prenol Lipids Isoprenoids Retinoids 444795 15367 HMDB0001852 LMPR01090019 C00777 SHGAZHPCJJPHSC-YCNIQYBTSA-N RM0135419 Ribose 5-phosphate RM0158596 HMDB01548 C5H11O8P 230.0192 Carbohydrates Monosaccharides Pentose phosphates 439167 52742 HMDB0001548 C00117 KTVPXOYAKDPRHY-SOOFDHNKSA-N RM0158596 Ribulose 5-phosphate RM0020730 HMDB00618 C5H11O8P 230.0192 Carbohydrates Monosaccharides Pentose phosphates 439184 17363 HMDB0000618 C00199 FNZLKVNUWIIPSJ-UHNVWZDZSA-N RM0020730 Sedoheptulose 7-phosphate RM0155901 HMDB01068 C7H15O10P 290.0403 Carbohydrates Monosaccharides Monosaccharide phosphates 165007 15721 HMDB0258206 C05382 JDTUMPKOJBQPKX-GBNDHIKLSA-N RM0155901 Shikimic acid RM0136206 HMDB03070 C7H10O5 174.0528 Benzenoids Benzenes Hydroxybenzoic acids 8742 16119 HMDB0003070 C00493 JXOHGGNKMLTUBP-HSUXUTPPSA-N RM0136206 Sorbitol RM0155940 HMDB00247 C6H14O6 182.079 Carbohydrates Monosaccharides Sugar alcohols 5780 17924 HMDB0000247 C00794 FBPFZTCFMRRESA-JGWLITMVSA-N RM0155940 Suberic acid RM0134985 HMDB00893 C8H14O4 174.0892 Fatty Acyls Fatty acids Dicarboxylic acids 10457 9300 HMDB0000893 LMFA01170001 C08278 TYFQFVWCELRYAO-UHFFFAOYSA-N RM0134985 Succinic acid RM0134982 HMDB00254 C4H6O4 118.0266 Organic acids TCA acids TCA acids 1110 15741 HMDB0000254 LMFA01170043 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N RM0134982 Sucrose RM0159895 HMDB00258 C12H22O11 342.1162 Carbohydrates Disaccharides Disaccharides 5988 17992 HMDB0000258 C00089 CZMRCDWAGMRECN-UGDNZRGBSA-N RM0159895 Tauro-beta-muricholic acid RM0125951 HMDB00932 C26H45NO7S 515.2917 Sterol Lipids Bile acids C24 Bile acids 21124703 133057 HMDB0000932 LMST05040012 XSOLDPYUICCHJX-UZUDEGBHSA-N RM0125951 Taurocholic acid RM0033602 HMDB00036 C26H45NO7S 515.2917 Sterol Lipids Bile acids C24 Bile acids 6675 28865 HMDB0000036 LMST05040001 C05122 WBWWGRHZICKQGZ-HZAMXZRMSA-N RM0033602 Sapropterin RM0018304 HMDB00027 C9H15N5O3 241.1175 Organoheterocyclic compounds Pterins Biopterins 135398654 59560 HMDB0000027 C00272 FNKQXYHWGSIFBK-RPDRRWSUSA-N RM0018304 Theophylline RM0136130 HMDB01889 C7H8N4O2 180.0647 Nucleic acids Purines Xanthines 2153 28177 HMDB0001889 C07130 ZFXYFBGIUFBOJW-UHFFFAOYSA-N RM0136130 Threitol RM0162751 HMDB04136 C4H10O4 122.0579 Carbohydrates Monosaccharides Sugar alcohols 169019 48300 HMDB0004136 C16884 UNXHWFMMPAWVPI-QWWZWVQMSA-N RM0162751 Thymidine RM0135927 HMDB00273 C10H14N2O5 242.0903 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides 5789 17748 HMDB0000273 C00214 IQFYYKKMVGJFEH-XLPZGREQSA-N RM0135927 Thymine RM0040235 HMDB00262 C5H6N2O2 126.0429 Nucleic acids Pyrimidines Other pyrimidines 1135 17821 HMDB0000262 C00178 RWQNBRDOKXIBIV-UHFFFAOYSA-N RM0040235 trans-Aconitic acid RM0118176 HMDB00958 C6H6O6 174.0164 Organic acids Carboxylic acids Tricarboxylic acids 444212 32806 HMDB0000958 C02341 GTZCVFVGUGFEME-HNQUOIGGSA-N RM0118176 dTTP RM0032432 HMDB0001342 C10H17N2O14P3 481.9893 Nucleic acids Pyrimidines Pyrimidine dNTP 64968 18077 HMDB0001342 C00459 NHVNXKFIZYSCEB-XLPZGREQSA-N RM0032432 UDP RM0135932 HMDB00295 C9H14N2O12P2 404.0022 Nucleic acids Pyrimidines Pyrimidine rNDP 6031 17659 HMDB0000295 C00015 XCCTYIAWTASOJW-XVFCMESISA-N RM0135932 UDP-N-acetylglucosamine RM0133219 HMDB00290 C17H27N3O17P2 607.0816 Nucleic acids Pyrimidines Pyrimidine rNDP 445675 16264 HMDB0000290 LMSL01010002 C00043 LFTYTUAZOPRMMI-CFRASDGPSA-N RM0133219 UDP-glucose RM0135928 HMDB00286 C15H24N2O17P2 566.055 Nucleic acids Pyrimidines Pyrimidine rNDP 53477679 167608 HMDB0000286 C00029 HSCJRCZFDFQWRP-LPTOLDDLSA-N RM0135928 Uracil RM0135934 HMDB00300 C4H4N2O2 112.0273 Nucleic acids Pyrimidines Other pyrimidines 1174 17568 HMDB0000300 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N RM0135934 Uric acid RM0160856 HMDB00289 C5H4N4O3 168.0283 Nucleic acids Purines Xanthines 1175 17775 HMDB0000289 C00366 LEHOTFFKMJEONL-UHFFFAOYSA-N RM0160856 Vanillylmandelic acid RM0002833 HMDB00291 C9H10O5 198.0528 Organic acids Phenylpropanoids Cinnamic acids 736172 27622 HMDB0000291 C05584 CGQCWMIAEPEHNQ-QMMMGPOBSA-N RM0002833 Xanthine RM0135930 HMDB00292 C5H4N4O2 152.0334 Nucleic acids Purines Xanthines 1188 17712 HMDB0000292 C00385 LRFVTYWOQMYALW-UHFFFAOYSA-N RM0135930 Xanthosine RM0161017 HMDB00299 C10H12N4O6 284.0757 Nucleic acids Purines Purine ribonucleosides 64959 18107 HMDB0000299 UBORTCNDUKBEOP-UUOKFMHZSA-N RM0161017 Xanthurenic acid RM0032268 HMDB00881 C10H7NO4 205.0375 Alkaloids Anthranilic acid alkaloids Acridone alkaloids 5699 10072 HMDB0000881 C02470 FBZONXHGGPHHIY-UHFFFAOYSA-N RM0032268 L-Xylonic acid RM0051121 HMDB60256 C5H10O6 166.0477 Carbohydrates Monosaccharides Sugar acids 6971043 48092 HMDB0060256 QXKAIJAYHKCRRA-NUNKFHFFSA-N RM0051121 Xylose RM0155911 HMDB00098 C5H10O5 150.0528 Carbohydrates Monosaccharides Pentoses 135191 53455 HMDB0000098 C00181 SRBFZHDQGSBBOR-IOVATXLUSA-N RM0155911 METABOLITES_END #END