5,6-epoxyeicosatrienoic acid   Click here for help

GtoPdb Ligand ID: 6304

Abbreviated name: 5,6-EET
Synonyms: (±)5,6-EpETrE | (±)5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid
Compound class: Metabolite
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)O
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)O
InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
InChI Key VBQNSZQZRAGRIX-QNEBEIHSSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPV4 Ligand is endogenous in the given species Mm Activator Agonist 6.9 pEC50 - 1
pEC50 6.9 [1]
Voltage: -60.0 mV
Ligand mentioned in the following text fields