glycocholic acid

Ligand id: 4544

Name: glycocholic acid

Abbreviated name: GCA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 127.09
Molecular weight 465.31
XLogP 3.27
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]acetic acid
Synonyms
cholylglycine
glycocholate
Database Links
CAS Registry No. 475-31-0 (source: Scifinder)
ChEBI CHEBI:17687
ChEMBL Ligand CHEMBL411070
PubChem CID 10140
RCSB PDB Ligand GCH
Search Google for chemical match using the InChIKey RFDAIACWWDREDC-FRVQLJSFSA-N
Search Google for chemicals with the same backbone RFDAIACWWDREDC
Wikipedia Glycocholic_acid