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CHEBI:36274 - glycochenodeoxycholic acid

ChEBI IDCHEBI:36274
ChEBI Nameglycochenodeoxycholic acid
Stars
DefinitionA bile acid glycine conjugate having 3α,7α-dihydroxy-5β-cholan-24-oyl as the bile acid component.
Secondary ChEBI IDsCHEBI:3591, CHEBI:5463, CHEBI:41520
Last Modified21 January 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC26H43NO5
Net Charge0
Average Mass449.632
Monoisotopic Mass449.31412
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)NCC(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
InChIKeyGHCZAUBVMUEKKP-GYPHWSFCSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23078175)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
glycochenodeoxycholic acid (CHEBI:36274) has functional parent chenodeoxycholic acid (CHEBI:16755)
glycochenodeoxycholic acid (CHEBI:36274) has role human metabolite (CHEBI:77746)
glycochenodeoxycholic acid (CHEBI:36274) is a bile acid glycine conjugate (CHEBI:36255)
glycochenodeoxycholic acid (CHEBI:36274) is conjugate acid of glycochenodeoxycholate (CHEBI:36252)
Incoming Relation(s)
glycocholic acid (CHEBI:17687) has functional parent glycochenodeoxycholic acid (CHEBI:36274)
sulfoglycochenodeoxycholic acid (CHEBI:72733) has functional parent glycochenodeoxycholic acid (CHEBI:36274)
glycochenodeoxycholate (CHEBI:36252) is conjugate base of glycochenodeoxycholic acid (CHEBI:36274)
IUPAC Names 
[(3α,7α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]acetic acid
N-(3α,7α-dihydroxy-5β-cholan-24-oyl)glycine
Synonyms  Source
chenodeoxycholylglycineChemIDplus
ChenodeoxyglycocholateKEGG COMPOUND
chenodeoxyglycocholic acidChEBI
GCDCAChEBI
glycine chenodeoxycholateChemIDplus
GlycochenodeoxycholateKEGG COMPOUND
Manual XrefsDatabases
C05466KEGG COMPOUND
CHOPDBeChem
DB02123DrugBank
Glycochenodeoxycholic_acidWikipedia
GLYCOCHENODEOXYCHOLIC_ACIDMetaCyc
HMDB0006898HMDB
Registry NumbersSources
Beilstein:3226177Beilstein
Reaxys:3226177Reaxys
CAS:640-79-9KEGG COMPOUND
CAS:640-79-9ChemIDplus
Citations