Metabolite information |
|
HMDB ID | HMDB0000631 |
Synonyms |
Acid, glycodeoxycholicCell signaling agentCellular membraneCytoplasmaDeoxycholate, glycineDeoxycholylglycineDeoxyglycocholateDeoxyglycocholic acidDigestionExtracellular regionFaecalFaecesFaunaFecalGlycine deoxycholateGlycodeoxycholateGlycodeoxycholic acidGlycodesoxycholateGlycodesoxycholic acidGlycyldeoxycholateGlycyldeoxycholic acidLipid metabolic processLiver tissueMembrane integrity agentMembrane stability agentN-[3a,12a-Dihydroxy-5b-cholan-24-oyl]-glycineN-[Carboxymethyl]-3a,12a-dihydroxy-5b-cholan-24-amideProstate glandSignal transductionSignaling agentSignalling moleculeStoolSurface-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 DeficiencyBile Acid BiosynthesisCerebrotendinous Xanthomatosis [CTX]Congenital Bile Acid Synthesis Defect Type IICongenital Bile Acid Synthesis Defect Type IIIFamilial Hypercholanemia [FHCA]Zellweger Syndrome |
Author-emphasized biomarker in the paper(s) |
|
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 | – | – | – |