Showing information for HMDB0000631 ('glycodeoxycholate', 'deoxycholic acid glycine conjugate')

Metabolite information
HMDB ID HMDB0000631
Synonyms
Acid, glycodeoxycholic
Cell signaling agent
Cellular membrane
Cytoplasma
Deoxycholate, glycine
Deoxycholylglycine
Deoxyglycocholate
Deoxyglycocholic acid
Digestion
Extracellular region
Faecal
Faeces
Fauna
Fecal
Glycine deoxycholate
Glycodeoxycholate
Glycodeoxycholic acid
Glycodesoxycholate
Glycodesoxycholic acid
Glycyldeoxycholate
Glycyldeoxycholic acid
Lipid metabolic process
Liver tissue
Membrane integrity agent
Membrane stability agent
N-[3a,12a-Dihydroxy-5b-cholan-24-oyl]-glycine
N-[Carboxymethyl]-3a,12a-dihydroxy-5b-cholan-24-amide
Prostate gland
Signal transduction
Signaling agent
Signalling molecule
Stool
Surface-active agent
Chemical formula C26H43NO5
IUPAC name
2-[(4R)-4-[(2S,5R,7R,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanamido]acetic acid
CAS registry number 360-65-6
Monisotopic molecular weight 449.314123491

Chemical taxonomy
Super class Lipids and lipid-like molecules
Class Steroids and steroid derivatives
Sub class Bile acids, alcohols and derivatives

Biological properties
Pahtways
27-Hydroxylase Deficiency
Bile Acid Biosynthesis
Cerebrotendinous Xanthomatosis [CTX]
Congenital Bile Acid Synthesis Defect Type II
Congenital Bile Acid Synthesis Defect Type III
Familial Hypercholanemia [FHCA]
Zellweger Syndrome
Author-emphasized biomarker in the paper(s)

Lung cancer metabolomics studies that identify HMDB0000631 ('glycodeoxycholate', 'deoxycholic acid glycine conjugate')

Reference Country Specimen Marker function Participants (Case) Participants (Control)
Cancer type Stage Number Gender (M,F) Age mean (range) (M/F) Smoking status Type Number Gender (M,F) Age mean (range) (M/F) Smoking status
Mazzone et al. 2016 – serum – adenocarcinoma, squamous cell carcinoma I, II, III 94 55.3%, 44.7% 68.7 – at-risk controls 190 50.5%, 49.5% 66.2 –
Moreno et al. 2018 – tissue therapy, diagnosis squamous cell carcinoma I, II, III 35 35, 0 68.71 ± 7.46 – tumor vs. adjacent normal tissue 35 35, 0 68.71 ± 7.46 –
Wen et al. 2013 – plasma diagnosis adenocarcinoma I 31 15, 16 median: 63 (40-81) smoker, non-smoker healthy 28 20, 8 median: 37 (29-50) smoker, non-smoker
Reference Chromatography Ion source Positive/Negative mode Mass analyzer Identification level
Mazzone et al. 2016 LC ESI negative linear ion-trap MS/MS
Moreno et al. 2018 LC, GC ESI, EI positive, negative LC: linear ion‐trap, GC: single‐quadrupole LC: MS/MS
Wen et al. 2013 LC ESI – Q-TOF MS/MS
Reference Data processing software Database search
Mazzone et al. 2016 Metabolon LIMS system Metabolon LIMS system
Moreno et al. 2018 – KEGG, HMDB
Wen et al. 2013 MassHunter, Mass Profiler Professional software (Agilent) NIST 08, HMDB, METLIN, LIPID MAPS
Reference Difference method Mean concentration (case) Mean concentration (control) Fold change (case/control) P-value FDR VIP
Mazzone et al. 2016 two- sample independent t test 1.43858± 3.174931 1.354707± 1.230925 1.0619122806629 0.7494643 0.728186896 –
Moreno et al. 2018 paired two‐sample t‐test, PLS-DA – – 1.20573535650109 0.133534758710436 0.161211403102765 –
Wen et al. 2013 Mann–Whitney–Wilcoxon test, OPLS-DA – – 0.351111218934499 0.000476 – 1.05
Reference Classification method Cutoff value AUROC 95%CI Sensitivity (%) Specificity (%) Accuracy (%)
Mazzone et al. 2016 – – – – – –
Moreno et al. 2018 – – – – – –
Wen et al. 2013 ROC curve analysis – 0.76 – – –