11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.

Lineolic acids and derivatives

Organic compounds

Lipids and lipid-like molecules

Lineolic acids and derivatives

Calculated Property

kind Value Source
logP 6.66 ALOGPS
logS -6.1 ALOGPS
Water Solubility 2.33e-04 g/l ALOGPS
logP 6.06 ChemAxon
IUPAC Name (11E,13E,15Z)-octadeca-11,13,15-trienoic acid ChemAxon
Traditional IUPAC Name (11E,13E,15Z)-octadeca-11,13,15-trienoic acid ChemAxon
Molecular Weight 278.4296 ChemAxon
Monoisotopic Weight 278.224580204 ChemAxon
SMILES CCC=C/C=C/C=C/CCCCCCCCCC(O)=O ChemAxon
Molecular Formula C18H30O2 ChemAxon
InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+ ChemAxon
InChIKey InChIKey=ZSXWVPXJLXTOQQ-ZRGCPWHVSA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 89.64 ChemAxon
Polarizability 36.18 ChemAxon
Rotatable Bond Count 13 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 4.95 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Putative aminooxidase : in Propionibacterium acnes (strain KPA171202 / DSM 16379)