Molecule ID: 1781

IUPAC Name: icosa-5,8,11-triynoic acid

Description: The molecule is a C20 polyunsaturated fatty acid having three triple bonds in the 5-, 8- and 11-positions. It has a role as an EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor. It is a polyunsaturated fatty acid, an icosanoid, a long-chain fatty acid and an acetylenic fatty acid.

SMILES: CCCCCCCCC#CCC#CCC#CCCCC(=O)O

SELFIES: [C][C][C][C][C][C][C][C][C][#C][C][C][#C][C][C][#C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-8,11,14,17-19H2,1H3,(H,21,22)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 6.2