CHEBI:37998 - glycolithocholic acid

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ChEBI Name glycolithocholic acid
ChEBI ID CHEBI:37998
Definition The glycine conjugate of lithocholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H43NO4
Net Charge 0
Average Mass 433.62390
Monoisotopic Mass 433.31921
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)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
InChIKey XBSQTYHEGZTYJE-OETIFKLTSA-N
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
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glycolithocholic acid (CHEBI:37998) has functional parent lithocholic acid (CHEBI:16325)
glycolithocholic acid (CHEBI:37998) is a N-acylglycine (CHEBI:16180)
glycolithocholic acid (CHEBI:37998) is a bile acid glycine conjugate (CHEBI:36255)
glycolithocholic acid (CHEBI:37998) is conjugate acid of glycolithocholate (CHEBI:60008)
Incoming 7-oxoglycolithocholic acid (CHEBI:138391) has functional parent glycolithocholic acid (CHEBI:37998)
sulfoglycolithocholic acid (CHEBI:9347) has functional parent glycolithocholic acid (CHEBI:37998)
glycolithocholate (CHEBI:60008) is conjugate base of glycolithocholic acid (CHEBI:37998)
IUPAC Name
N-(3α-hydroxy-5β-cholan-24-oyl)glycine
Synonyms Sources
Glycolithocholate KEGG COMPOUND
Glycolithocholic acid KEGG COMPOUND
Lithocholic acid glycine conjugate ChemIDplus
Lithocholylglycine ChemIDplus
N-((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)glycine ChemIDplus
Manual Xref Database
C15557 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3174407 Beilstein Registry Number Beilstein
474-74-8 CAS Registry Number ChemIDplus
Last Modified
06 September 2017