linoleic acid   Click here for help

GtoPdb Ligand ID: 1052

Synonyms: C18:2 | linoleate | linolic acid | telfairic acid
PDB Ligand
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 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
Click here for help
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
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(9Z,12Z)-octadeca-9,12-dienoic acid
Synonyms Click here for help
C18:2 | linoleate | linolic acid | telfairic acid
Database Links Click here for help
BindingDB Ligand 22231
CAS Registry No. 60-33-3 (source: ChEBI)
ChEBI CHEBI:17351
ChEMBL Ligand CHEMBL267476
DrugCentral Ligand 3323
GtoPdb PubChem SID 135651503
PubChem CID 5280450
RCSB PDB Ligand EIC
Search Google for chemical match using the InChIKey OYHQOLUKZRVURQ-HZJYTTRNSA-N
Search Google for chemicals with the same backbone OYHQOLUKZRVURQ
Search UniChem for chemical match using the InChIKey OYHQOLUKZRVURQ-HZJYTTRNSA-N
Search UniChem for chemicals with the same backbone OYHQOLUKZRVURQ
Wikipedia Linoleic_acid