CHEBI:82982 - glycodeoxycholate

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ChEBI Name glycodeoxycholate
ChEBI ID CHEBI:82982
Definition A N-acylglycinate that is the conjugate base of glycodeoxycholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H42NO5
Net Charge -1
Average Mass 448.616
Monoisotopic Mass 448.30685
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)/p-1/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1
InChIKey WVULKSPCQVQLCU-BUXLTGKBSA-M
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
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) 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 glycodeoxycholate (CHEBI:82982) has role human metabolite (CHEBI:77746)
glycodeoxycholate (CHEBI:82982) is a N-acylglycinate (CHEBI:57670)
glycodeoxycholate (CHEBI:82982) is conjugate base of glycodeoxycholic acid (CHEBI:27471)
Incoming sodium glycodeoxycholate (CHEBI:87819) has part glycodeoxycholate (CHEBI:82982)
glycodeoxycholic acid (CHEBI:27471) is conjugate acid of glycodeoxycholate (CHEBI:82982)
IUPAC Name
{[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate
Synonym Source
glycodeoxycholate UniProt
Last Modified
03 May 2016