palmitoyl-CoA

Ligand id: 6765

Name: palmitoyl-CoA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 24
Hydrogen bond donors 9
Rotatable bonds 36
Topological polar surface area 418.36
Molecular weight 1005.34
XLogP 1.19
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
S-[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]ethyl] hexadecanethioate
Synonyms
palmitoyl coenzyme A
Database Links
CAS Registry No. 1763-10-6 (source: Scifinder)
ChEBI CHEBI:15525
PubChem CID 644109
RCSB PDB Ligand PKZ
Search Google for chemical match using the InChIKey MNBKLUUYKPBKDU-BBECNAHFSA-N
Search Google for chemicals with the same backbone MNBKLUUYKPBKDU
Search UniChem for chemical match using the InChIKey MNBKLUUYKPBKDU-BBECNAHFSA-N
Search UniChem for chemicals with the same backbone MNBKLUUYKPBKDU
Wikipedia Palmitoyl-CoA