Biological and Environmental Research Ontology

Last uploaded: December 23, 2022
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Id http://purl.obolibrary.org/obo/CHEBI_36257
http://purl.obolibrary.org/obo/CHEBI_36257
Preferred Name

taurocholate
Definitions
An organosulfonate oxoanion that is the conjugate base of taurocholic acid.
Synonyms
taurocholate
2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
Type http://www.w3.org/2002/07/owl#Class

All Properties

definition

An organosulfonate oxoanion that is the conjugate base of taurocholic acid.
label
taurocholate
prefLabel
taurocholate
database_cross_reference
Reaxys:3919947
Beilstein:3919947
notation
CHEBI:36257
in_subset
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
id
CHEBI:36257
charge
-1
has_obo_namespace
chebi_ontology
formula
C26H44NO7S
subClassOf
is_conjugate_base_of
inchikey
WBWWGRHZICKQGZ-HZAMXZRMSA-M
mass
514.69610
monoisotopicmass
514.28440
type
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
RO_0000087
has_exact_synonym
taurocholate
2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
bearer of
alternative term
taurocholate
2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
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