linoleic acid   Click here for help

GtoPdb Ligand ID: 1052

Synonyms: C18:2 | linoleate | linolic acid | telfairic acid
PDB Ligand
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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 14
Topological polar surface area 37.3
Molecular weight 280.24
XLogP 7.87
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCCCCCCCC(=O)O
Isomeric SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
InChI Key OYHQOLUKZRVURQ-HZJYTTRNSA-N

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Targets
FFA1 receptor; FFA4 receptor; Fatty acid transport protein 1; Fatty acid transport protein 4; Fatty acid transport protein 6; PLD2; cellular retinoic acid binding protein 1; fatty acid binding protein 1; fatty acid binding protein 2; fatty acid binding protein 3; fatty acid binding protein 4; retinol binding protein 2
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Targets
FFA1 receptor; FFA4 receptor; cellular retinoic acid binding protein 1; fatty acid binding protein 1; fatty acid binding protein 2; fatty acid binding protein 3; fatty acid binding protein 4; retinol binding protein 2