LINOLEIC ACID

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Synonyms
Status
Molecule Category Free-form
UNII 9KJL21T0QJ
EPA CompTox DTXSID2025505

Structure

InChI Key OYHQOLUKZRVURQ-HZJYTTRNSA-N
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-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H32O2
Molecular Weight 280.45
AlogP 5.88
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Fatty acid binding protein family
- - - - 81.4-85
Enzyme
- 690-690 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Free fatty acid receptor
316.23-549.54 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
- - 4.8 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus subtilis
- - - - 34.6
Hepatitis C virus
- - - - 90
Homo sapiens
316.23-549.54 690-690 4.8 - 36.9-85
Mus musculus
- - - - 29.6

Related Entries

Cross References

Resources Reference
ChEBI 17351
ChEMBL CHEMBL267476
DrugBank DB14104
DrugCentral 3323
FDA SRS 9KJL21T0QJ
Human Metabolome Database HMDB0000673
Guide to Pharmacology 1052
KEGG C01595
PDB EIC
PubChem 5280450
SureChEMBL SCHEMBL7067
ZINC ZINC000004474613
CONTENTS