CHEBI:36276 - sodium taurocholate

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ChEBI Name sodium taurocholate
ChEBI ID CHEBI:36276
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H44NNaO7S
Net Charge 0
Average Mass 537.68587
Monoisotopic Mass 537.27362
InChI InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1
InChIKey JAJWGJBVLPIOOH-IZYKLYLVSA-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)NCCS([O-])(=O)=O
ChEBI Ontology
Outgoing sodium taurocholate (CHEBI:36276) has part taurocholate (CHEBI:36257)
sodium taurocholate (CHEBI:36276) is a bile salt (CHEBI:22868)
IUPAC Name
sodium 2-[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonate
Synonyms Sources
monosodium N-choloyltaurinate ChemIDplus
sodium taurocholate ChemIDplus
taurocholate sodium ChemIDplus
taurocholate sodium salt ChemIDplus
taurocholic acid sodium salt ChemIDplus
Registry Numbers Types Sources
145-42-6 CAS Registry Number ChemIDplus
3901620 Beilstein Registry Number Beilstein
Last Modified
02 December 2009