malonyl-CoA

Ligand id: 5219

Name: malonyl-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 853.12
XLogP -6.68
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]-3-oxopropanoic acid
Database Links
CAS Registry No. 524-14-1
ChEBI CHEBI:15531
PubChem CID 644066
RCSB PDB Ligand MLC
Search Google for chemical match using the InChIKey LTYOQGRJFJAKNA-DVVLENMVSA-N
Search Google for chemicals with the same backbone LTYOQGRJFJAKNA
Search UniChem for chemical match using the InChIKey LTYOQGRJFJAKNA-DVVLENMVSA-N
Search UniChem for chemicals with the same backbone LTYOQGRJFJAKNA
Wikipedia Malonyl-CoA