Terminology Service for NFDI4Health
taurocholate
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http://purl.obolibrary.org/obo/CHEBI_36257
An organosulfonate oxoanion that is the conjugate base of taurocholic acid.
Term info
Label
taurocholate
Synonyms
- 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
- taurocholate
Subsets
3_STAR
IUPAC NAME
2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
[
IUPAC
]
charge
-1
formula
C26H44NO7S
has obo namespace
chebi_ontology
id
CHEBI:36257
inchi
InChI=1S/C26H45NO7S/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)/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
inchikey
WBWWGRHZICKQGZ-HZAMXZRMSA-M
mass
514.69610
monoisotopicmass
514.28440
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@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O