CHEBI:27471 - glycodeoxycholic acid

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ChEBI Name glycodeoxycholic acid
ChEBI ID CHEBI:27471
Definition A bile acid glycine conjugate of deoxycholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1686, CHEBI:5465, CHEBI:20208
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Formula C26H43NO5
Net Charge 0
Average Mass 449.624
Monoisotopic Mass 449.314
InChI InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1
InChIKey WVULKSPCQVQLCU-BUXLTGKBSA-N
SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C)O)[H])C
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 glycodeoxycholic acid (CHEBI:27471) has functional parent deoxycholic acid (CHEBI:28834)
glycodeoxycholic acid (CHEBI:27471) has role human metabolite (CHEBI:77746)
glycodeoxycholic acid (CHEBI:27471) is a bile acid glycine conjugate (CHEBI:36255)
glycodeoxycholic acid (CHEBI:27471) is conjugate acid of glycodeoxycholate (CHEBI:82982)
Incoming 7-oxoglycodeoxycholic acid (CHEBI:138394) has functional parent glycodeoxycholic acid (CHEBI:27471)
glycodeoxycholic acid 3-sulfate (CHEBI:133678) has functional parent glycodeoxycholic acid (CHEBI:27471)
glycodeoxycholate (CHEBI:82982) is conjugate base of glycodeoxycholic acid (CHEBI:27471)
IUPAC Name
N-(3α,12α-dihydroxy-5β-cholan-24-oyl)glycine
Synonyms Sources
deoxycholic acid glycine conjugate ChemIDplus
deoxycholylglycine ChemIDplus
GDCA ChEBI
Glycodeoxycholate KEGG COMPOUND
glycodeoxycholic acid ChemIDplus
glycodesoxycholic acid ChemIDplus
Database Links Databases
C05464 KEGG COMPOUND
Glycodeoxycholic_acid Wikipedia
GLYCODEOXYCHOLIC_ACID MetaCyc
HMDB0000631 HMDB
LMST05030006 LIPID MAPS
LSM-5760 LINCS
View more database links
Registry Numbers Types Sources
2954947 Beilstein Registry Number Beilstein
2954947 Reaxys Registry Number Reaxys
360-65-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22359652 PubMed citation Europe PMC
23892997 PubMed citation Europe PMC
659989 PubMed citation Europe PMC
Last Modified
07 September 2017