5,6-epoxyeicosatrienoic acid

Ligand id: 6304

Name: 5,6-epoxyeicosatrienoic acid

Abbreviated name: 5,6-EET

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 49.83
Molecular weight 320.24
XLogP 6.58
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
4-[3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid
Synonyms
(±)5,6-EpETrE
(±)5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid
Database Links
CAS Registry No. 81246-84-6 (source: Scifinder)
ChEBI CHEBI:34450
ChEMBL Ligand CHEMBL1893588
PubChem CID 5283202
Search Google for chemical match using the InChIKey VBQNSZQZRAGRIX-QNEBEIHSSA-N
Search Google for chemicals with the same backbone VBQNSZQZRAGRIX