glycochenodeoxycholic acid

Ligand id: 4545

Name: glycochenodeoxycholic acid

Abbreviated name: GCDA

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 5.35
No. Lipinski's rules broken 1

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]acetic acid
Synonyms
glycochenodeoxycholate
Database Links
CAS Registry No. 640-79-9 (source: Scifinder)
ChEBI CHEBI:36274
ChEMBL Ligand CHEMBL1552
PubChem CID 12544
RCSB PDB Ligand CHO
Search Google for chemical match using the InChIKey GHCZAUBVMUEKKP-GYPHWSFCSA-N
Search Google for chemicals with the same backbone GHCZAUBVMUEKKP
Search UniChem for chemical match using the InChIKey GHCZAUBVMUEKKP-GYPHWSFCSA-N
Search UniChem for chemicals with the same backbone GHCZAUBVMUEKKP
Wikipedia Glycochenodeoxycholic_acid