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sodium taurocholate

Go to external page http://purl.obolibrary.org/obo/CHEBI_36276

Term info

Label

sodium taurocholate

Synonyms
  • sodium 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
  • sodium taurocholate
database cross reference
Subsets

3_STAR

IUPAC NAME
sodium 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate [ IUPAC ]

charge

0

formula

C26H44NNaO7S

has obo namespace

chebi_ontology

has related synonym

taurocholic acid sodium salt, monosodium N-choloyltaurinate, taurocholate sodium salt, taurocholate sodium

id

CHEBI:36276

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

mass

537.68587

monoisotopicmass

537.27362

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

Term relations

Subclass of: