oleic acid   Click here for help

GtoPdb Ligand ID: 1054

Synonyms: C18:1 | oleate
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 15
Topological polar surface area 37.3
Molecular weight 282.26
XLogP 8.19
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)O
Isomeric SMILES CCCCCCCC/C=C\CCCCCCCC(=O)O
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChI Key ZQPPMHVWECSIRJ-KTKRTIGZSA-N

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FFA1 receptor; Fatty acid transport protein 1; Fatty acid transport protein 4; Fatty acid transport protein 6; 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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