coenzyme A

Ligand id: 3044

Name: coenzyme A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 23
Hydrogen bond donors 9
Rotatable bonds 20
Topological polar surface area 414.79
Molecular weight 767.12
XLogP -6.22
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate
Synonyms
co-enzyme-A
CoA
Database Links
BRENDA Ligand 8729
CAS Registry No. 85-61-0
ChEBI CHEBI:15346
ChEMBL Ligand CHEMBL1213327
DrugBank Ligand DB01992
PubChem CID 87642
RCSB PDB Ligand COA
Search Google for chemical match using the InChIKey RGJOEKWQDUBAIZ-IBOSZNHHSA-N
Search Google for chemicals with the same backbone RGJOEKWQDUBAIZ
Wikipedia Coenzyme_a