α-linolenic acid   Click here for help

GtoPdb Ligand ID: 1049

Synonyms: α-LA | C18:3 | linolenate
PDB Ligand
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 37.3
Molecular weight 278.22
XLogP 7.54
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCC=CCC=CCC=CCCCCCCCC(=O)O
Isomeric SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
InChI Key DTOSIQBPPRVQHS-PDBXOOCHSA-N
Natural/Endogenous Targets
Target
FFA1 receptor
FFA4 receptor
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
FFA4 receptor Ligand is endogenous in the given species Hs Agonist Full agonist 5.5 pEC50 - 6
pEC50 5.5 [6]
FFA1 receptor Ligand is endogenous in the given species Hs Agonist Full agonist 4.6 – 5.7 pEC50 - 1-3
pEC50 4.6 – 5.7 [1-3]
FFA4 receptor Ligand is endogenous in the given species Rn Agonist Full agonist 5.1 pEC50 - 7
pEC50 5.1 [7]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields