propionyl-CoA

Ligand id: 5248

Name: propionyl-CoA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 24
Hydrogen bond donors 9
Rotatable bonds 23
Topological polar surface area 418.36
Molecular weight 823.14
XLogP -6.21
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-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(propanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Database Links
CAS Registry No. 317-66-8
ChEBI CHEBI:15539
PubChem CID 92753
RCSB PDB Ligand 1VU
Search Google for chemical match using the InChIKey QAQREVBBADEHPA-IEXPHMLFSA-N
Search Google for chemicals with the same backbone QAQREVBBADEHPA
Search UniChem for chemical match using the InChIKey QAQREVBBADEHPA-IEXPHMLFSA-N
Search UniChem for chemicals with the same backbone QAQREVBBADEHPA
Wikipedia Propionyl-CoA