oleoyl-CoA

Ligand id: 2386

Name: oleoyl-CoA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 24
Hydrogen bond donors 9
Rotatable bonds 37
Topological polar surface area 418.36
Molecular weight 1031.36
XLogP 1.81
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] (Z)-octadec-9-enethioate
Synonyms
oleoyl-coenzyme A
Database Links
CAS Registry No. 1716-06-9 (source: Scifinder)
ChEBI CHEBI:15534
PubChem CID 5497111
RCSB PDB Ligand 3VV
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