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CHEBI:27471 - glycodeoxycholic acid

ChEBI IDCHEBI:27471
ChEBI Nameglycodeoxycholic acid
Stars
DefinitionA bile acid glycine conjugate of deoxycholic acid.
Secondary ChEBI IDsCHEBI:1686, CHEBI:5465, CHEBI:20208
Last Modified7 September 2017
DownloadsMolfile
FormulaC26H43NO5
Net Charge0
Average Mass449.632
Monoisotopic Mass449.31412
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)NCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=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
InChIKeyWVULKSPCQVQLCU-BUXLTGKBSA-N
Wikipedia
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
glycodeoxycholic acid glucuronide (CHEBI:233537) has functional parent glycodeoxycholic acid (CHEBI:27471)
glycodeoxycholic acid-2,2,4,4-d4 (CHEBI:192784) is a 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  Source
GlycodeoxycholateKEGG COMPOUND
glycodeoxycholic acidChemIDplus
glycodesoxycholic acidChemIDplus
deoxycholylglycineChemIDplus
deoxycholic acid glycine conjugateChemIDplus
GDCAChEBI
Manual XrefsDatabases
C05464KEGG COMPOUND
GLYCODEOXYCHOLIC_ACIDMetaCyc
LMST05030006LIPID MAPS
Glycodeoxycholic_acidWikipedia
HMDB0000631HMDB
LSM-5760LINCS
Registry NumbersSources
Beilstein:2954947Beilstein
Reaxys:2954947Reaxys
CAS:360-65-6ChemIDplus
Citations