CHEBI:26711 - sodium cholate

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ChEBI Name sodium cholate
ChEBI ID CHEBI:26711
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H39NaO5
Net Charge 0
Average Mass 430.55323
Monoisotopic Mass 430.26952
InChI InChI=1S/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1
InChIKey NRHMKIHPTBHXPF-TUJRSCDTSA-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-])=O
ChEBI Ontology
Outgoing sodium cholate (CHEBI:26711) is a cholate salt (CHEBI:23169)
sodium cholate (CHEBI:26711) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium 3α,7α,12α-trihydroxy-5β-cholan-24-oate
Synonyms Sources
cholic acid, monosodium salt ChemIDplus
sodium cholate ChemIDplus
Registry Numbers Types Sources
361-09-1 CAS Registry Number ChemIDplus
4289807 Beilstein Registry Number Beilstein
Last Modified
25 March 2011