CHEBI:36257 - taurocholate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name taurocholate
ChEBI ID CHEBI:36257
Definition An organosulfonate oxoanion that is the conjugate base of taurocholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H44NO7S
Net Charge -1
Average Mass 514.69610
Monoisotopic Mass 514.28440
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
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
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing taurocholate (CHEBI:36257) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
taurocholate (CHEBI:36257) has role human metabolite (CHEBI:77746)
taurocholate (CHEBI:36257) is a cholanic acid conjugate anion (CHEBI:131879)
taurocholate (CHEBI:36257) is a organosulfonate oxoanion (CHEBI:33554)
taurocholate (CHEBI:36257) is conjugate base of taurocholic acid (CHEBI:28865)
Incoming sodium taurocholate (CHEBI:36276) has part taurocholate (CHEBI:36257)
taurocholic acid (CHEBI:28865) is conjugate acid of taurocholate (CHEBI:36257)
IUPAC Name
2-[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonate
Synonym Source
taurocholate UniProt
Registry Numbers Types Sources
3919947 Beilstein Registry Number Beilstein
3919947 Reaxys Registry Number Reaxys
Last Modified
21 January 2016