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CHEBI:36273 - sodium glycocholate

ChEBI IDCHEBI:36273
ChEBI Namesodium glycocholate
Stars
Last Modified16 July 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC26H42NO6.Na
Net Charge0
Average Mass487.613
Monoisotopic Mass487.29098
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)NCC(=O)[O-])[C@]1([H])[C@H](O)C2.[Na+]
InChIInChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1
InChIKeyOABYVIYXWMZFFJ-ZUHYDKSRSA-M
ChEBI Ontology
Outgoing Relation(s)
sodium glycocholate (CHEBI:36273) has part glycocholate (CHEBI:29746)
sodium glycocholate (CHEBI:36273) is a bile salt (CHEBI:22868)
IUPAC Name 
sodium N-(3α,7α,12α-trihydroxy-5β-cholan-24-oyl)glycinate
Synonyms  Source
glycocholate sodiumChemIDplus
glycocholate sodium saltChemIDplus
glycocholic acid sodium saltChemIDplus
monosodium glycocholic acidChemIDplus
sodium glycocholateChemIDplus
N-choloylglycine, monosodium saltChemIDplus
Registry NumbersSources
Beilstein:3854517Beilstein
CAS:863-57-0ChemIDplus