methylmalonyl-CoA

Ligand id: 5223

Name: methylmalonyl-CoA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 26
Hydrogen bond donors 10
Rotatable bonds 24
Topological polar surface area 455.66
Molecular weight 867.13
XLogP -6.47
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoic acid
Database Links
CAS Registry No. 1264-45-5
ChEBI CHEBI:16625
PubChem CID 123909
Search Google for chemical match using the InChIKey MZFOKIKEPGUZEN-FBMOWMAESA-N
Search Google for chemicals with the same backbone MZFOKIKEPGUZEN
Search UniChem for chemical match using the InChIKey MZFOKIKEPGUZEN-FBMOWMAESA-N
Search UniChem for chemicals with the same backbone MZFOKIKEPGUZEN
Wikipedia Methylmalonyl-CoA