Ligand Id: 4541
Ligand name [14C]acetylCoA

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 24
Hydrogen bond donors 9
Rotatable bonds 22
Topological polar surface area 418.36
Molecular weight 809.13
XLogP -6.46
No. Lipinski's rules broken 3

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Metabolite or derivative
IUPAC Name
{[(2R,3S,4R,5R)-2-({[({[(3R)-3-{[2-({2-[(1-¹⁴C)acetylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Synonyms
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl][(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl]hydrogen phosphate
coenzyme A
[14C]-acetylCoA
Database Links
Search on ChemSpider ZSLZBFCDCINBPY-YHBLMJDYSA-N

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org