CHEBI:60008 - glycolithocholate

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ChEBI Name glycolithocholate
ChEBI ID CHEBI:60008
Definition A N-acylglycinate that is the conjugate base of glycolithocholic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C26H42NO4
Net Charge -1
Average Mass 432.61600
Monoisotopic Mass 432.31193
InChI InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
InChIKey XBSQTYHEGZTYJE-OETIFKLTSA-M
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
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 glycolithocholate (CHEBI:60008) has role human metabolite (CHEBI:77746)
glycolithocholate (CHEBI:60008) is a N-acylglycinate (CHEBI:57670)
glycolithocholate (CHEBI:60008) is conjugate base of glycolithocholic acid (CHEBI:37998)
Incoming glycolithocholic acid (CHEBI:37998) is conjugate acid of glycolithocholate (CHEBI:60008)
IUPAC Name
N-(3α-hydroxy-5β-cholan-24-oyl)glycinate
Synonym Source
glycolithocholate UniProt
Last Modified
18 September 2014