CHEBI:16525 - taurochenodeoxycholic acid

Main ChEBI Ontology Automatic Xrefs
ChEBI Name taurochenodeoxycholic acid
ChEBI ID CHEBI:16525
Definition A bile acid taurine conjugate of chenodeoxycholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46136, CHEBI:3590, CHEBI:13961, CHEBI:23096
Supplier Information
Save molfile Download Molfile
Formula C26H45NO6S
Net Charge 0
Average Mass 499.70464
InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
InChIKey BHTRKEVKTKCXOH-BJLOMENOSA-N
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[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
Mus musculus (NCBI:10090) See: PubMed
Homo sapiens (NCBI:9606) See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing taurochenodeoxycholic acid (CHEBI:16525) has functional parent chenodeoxycholic acid (CHEBI:16755)
taurochenodeoxycholic acid (CHEBI:16525) has role human metabolite (CHEBI:77746)
taurochenodeoxycholic acid (CHEBI:16525) has role mouse metabolite (CHEBI:75771)
taurochenodeoxycholic acid (CHEBI:16525) is a bile acid taurine conjugate (CHEBI:23219)
taurochenodeoxycholic acid (CHEBI:16525) is conjugate acid of taurochenodeoxycholate (CHEBI:9407)
Incoming taurochenodeoxycholate (CHEBI:9407) is conjugate base of taurochenodeoxycholic acid (CHEBI:16525)
IUPAC Name
2-[(3α,7α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid
Synonyms Sources
Chenodeoxycholoyltaurine KEGG COMPOUND
Chenodeoxycholoyltaurine KEGG COMPOUND
taurine chenodeoxycholate ChemIDplus
taurochenodeoxycholate ChemIDplus
taurochenodeoxycholic acid UniProt
taurochenodeoxycholic acid ChemIDplus
Taurochenodeoxycholic acid KEGG COMPOUND
Database Links Databases
C05465 KEGG COMPOUND
HMDB00951 HMDB
LMST05040005 LIPID MAPS
TUD PDBeChem
View more database links
Registry Numbers Types Sources
3228311 Reaxys Registry Number Reaxys
3228311 Beilstein Registry Number Beilstein
516-35-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12065295 PubMed citation CiteXplore
21983642 PubMed citation CiteXplore
23510744 PubMed citation CiteXplore
23562588 PubMed citation CiteXplore
23811455 PubMed citation CiteXplore
Last Modified
11 November 2014