taurocholic acid

Ligand id: 4547

Name: taurocholic acid

Abbreviated name: TCA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 152.54
Molecular weight 515.29
XLogP 2.77
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,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid
Synonyms
taurocholate
Database Links
CAS Registry No. 81-24-3 (source: Scifinder)
ChEBI CHEBI:28865
ChEMBL Ligand CHEMBL224867
PubChem CID 6675
RCSB PDB Ligand TCH
Search Google for chemical match using the InChIKey WBWWGRHZICKQGZ-HZAMXZRMSA-N
Search Google for chemicals with the same backbone WBWWGRHZICKQGZ
Search UniChem for chemical match using the InChIKey WBWWGRHZICKQGZ-HZAMXZRMSA-N
Search UniChem for chemicals with the same backbone WBWWGRHZICKQGZ
Wikipedia Taurocholic_acid