Terminology Service for NFDI4Health

glycolithocholate

Go to external page http://purl.obolibrary.org/obo/CHEBI_60008


A N-acylglycinate that is the conjugate base of glycolithocholic acid; major species at pH 7.3.

Term info

Label

glycolithocholate

Synonyms
  • N-(3alpha-hydroxy-5beta-cholan-24-oyl)glycinate
  • glycolithocholate
Subsets

3_STAR

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

charge

-1

formula

C26H42NO4

has obo namespace

chebi_ontology

id

CHEBI:60008

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

mass

432.61600

monoisotopicmass

432.31193

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