Molecule ID: 1777

IUPAC Name: icosa-8,11,14-trien-5-ynoic acid

Description: The molecule is a trienoic fatty acid, that is icosanoic acid containing double bonds at positions 8, 11 and 14 and a triple bond at position 5. It has a role as a mouse metabolite. It is an acetylenic fatty acid, a trienoic fatty acid and a long-chain fatty acid.

SMILES: CCCCCC=CCC=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/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14,17-19H2,1H3,(H,21,22)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 6.0