glycoursodeoxycholic acid

Ligand id: 4715

Name: glycoursodeoxycholic acid

Abbreviated name: GUDCA

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-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Synonyms
glycoursodeoxycholate
Database Links
CAS Registry No. 64480-66-6 (source: Scifinder)
ChEMBL Ligand CHEMBL409348
GtoPdb PubChem SID 178101426
PubChem CID 12310288
Search Google for chemical match using the InChIKey GHCZAUBVMUEKKP-XROMFQGDSA-N
Search Google for chemicals with the same backbone GHCZAUBVMUEKKP
Search UniChem for chemical match using the InChIKey GHCZAUBVMUEKKP-XROMFQGDSA-N
Search UniChem for chemicals with the same backbone GHCZAUBVMUEKKP