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glycolithocholic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_37998

The glycine conjugate of lithocholic acid.

Term info

Label

glycolithocholic acid

Synonyms
  • Glycolithocholic acid
  • N-(3alpha-hydroxy-5beta-cholan-24-oyl)glycine
database cross reference
Subsets

3_STAR

IUPAC NAME
N-(3alpha-hydroxy-5beta-cholan-24-oyl)glycine [ IUPAC ]

charge

0

formula

C26H43NO4

has obo namespace

chebi_ontology

has related synonym

Lithocholic acid glycine conjugate, N-((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)glycine, Lithocholylglycine, Glycolithocholate

id

CHEBI:37998

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

mass

433.62390

monoisotopicmass

433.31921

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