CHEBI:36274 - glycochenodeoxycholic acid

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ChEBI Name glycochenodeoxycholic acid
ChEBI ID CHEBI:36274
Definition A bile acid glycine conjugate having 3α,7α-dihydroxy-5β-cholan-24-oyl as the bile acid component.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5463, CHEBI:41520, CHEBI:3591
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Formula C26H43NO5
Net Charge 0
Average Mass 449.62336
Monoisotopic Mass 449.314
InChI InChI=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
InChIKey GHCZAUBVMUEKKP-GYPHWSFCSA-N
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@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
chenodeoxycholylglycine ChemIDplus
Chenodeoxyglycocholate KEGG COMPOUND
chenodeoxyglycocholic acid ChEBI
GCDCA ChEBI
glycine chenodeoxycholate ChemIDplus
Glycochenodeoxycholate KEGG COMPOUND
GLYCOCHENODEOXYCHOLIC ACID PDBeChem
Glycochenodeoxycholic acid KEGG COMPOUND
Database Links Databases
C05466 KEGG COMPOUND
CHO PDBeChem
DB02123 DrugBank
Glycochenodeoxycholic_acid Wikipedia
GLYCOCHENODEOXYCHOLIC_ACID MetaCyc
HMDB06898 HMDB
View more database links
Registry Numbers Types Sources
3226177 Beilstein Registry Number Beilstein
3226177 Reaxys Registry Number Reaxys
640-79-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22770225 PubMed citation Europe PMC
23078175 PubMed citation Europe PMC
Last Modified
21 January 2016