(S)-3-hydroxy-3-methylglutaryl-CoA

Ligand id: 3040

Name: (S)-3-hydroxy-3-methylglutaryl-CoA

Abbreviated name: HMG-CoA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 27
Hydrogen bond donors 11
Rotatable bonds 26
Topological polar surface area 475.89
Molecular weight 911.16
XLogP -7.35
No. Lipinski's rules broken 3

Molecular properties generated using the CDK
Classification
Compound class Metabolite or derivative
IUPAC Name
(3S)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid
Synonyms
3-Hydroxy-3-methylglutaryl-CoA  | 3-hydroxy-3-methylglutaryl-coenzyme A | HMG-CoA | hydroxymethylglutaryl-CoA
Database Links
CAS Registry No. 26926-09-0
ChEBI CHEBI:15467
ChEMBL Ligand CHEMBL1794644
GtoPdb PubChem SID 135651558
PubChem CID 445127
Search Google for chemical match using the InChIKey CABVTRNMFUVUDM-VRHQGPGLSA-N
Search Google for chemicals with the same backbone CABVTRNMFUVUDM
Search UniChem for chemical match using the InChIKey CABVTRNMFUVUDM-VRHQGPGLSA-N
Search UniChem for chemicals with the same backbone CABVTRNMFUVUDM
Wikipedia HMG-CoA
Comments
This is the biologically active isomer of 3-hydroxy-3-methylglutaryl-CoA.