CHEBI:36273 - sodium glycocholate

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ChEBI Name sodium glycocholate
ChEBI ID CHEBI:36273
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H42NNaO6
Net Charge 0
Average Mass 487.60459
Monoisotopic Mass 487.29098
InChI InChI=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
InChIKey OABYVIYXWMZFFJ-ZUHYDKSRSA-M
SMILES [Na+].[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@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O
ChEBI Ontology
Outgoing 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 Sources
glycocholate sodium ChemIDplus
glycocholate sodium salt ChemIDplus
glycocholic acid sodium salt ChemIDplus
monosodium glycocholic acid ChemIDplus
N-choloylglycine, monosodium salt ChemIDplus
sodium glycocholate ChemIDplus
Registry Numbers Types Sources
3854517 Beilstein Registry Number Beilstein
863-57-0 CAS Registry Number ChemIDplus
Last Modified
17 July 2006