taurochenodeoxycholic acid

Ligand id: 4747

Name: taurochenodeoxycholic acid

Abbreviated name: TCDCA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 132.31
Molecular weight 499.3
XLogP 4.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid
Synonyms
taurochenodeoxycholate
Database Links
CAS Registry No. 516-35-8 (source: Scifinder)
ChEBI CHEBI:16525
ChEMBL Ligand CHEMBL185878
PubChem CID 387316
RCSB PDB Ligand TUD
Search Google for chemical match using the InChIKey BHTRKEVKTKCXOH-BJLOMENOSA-N
Search Google for chemicals with the same backbone BHTRKEVKTKCXOH
Search UniChem for chemical match using the InChIKey BHTRKEVKTKCXOH-BJLOMENOSA-N
Search UniChem for chemicals with the same backbone BHTRKEVKTKCXOH
Wikipedia Taurochenodeoxycholic_acid