glycodeoxycholic acid

Ligand id: 4714

Name: glycodeoxycholic acid

Abbreviated name: GDCA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 106.86
Molecular weight 449.31
XLogP 4.93
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,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid
Synonyms
glycodeoxycholate
Database Links
CAS Registry No. 360-65-6 (source: Scifinder)
ChEBI CHEBI:27471
ChEMBL Ligand CHEMBL258605
PubChem CID 3035026
Search Google for chemical match using the InChIKey WVULKSPCQVQLCU-BUXLTGKBSA-N
Search Google for chemicals with the same backbone WVULKSPCQVQLCU
Wikipedia Glycodeoxycholic_acid