Molecule ID: 5460986

IUPAC Name: (E)-icos-9-enoate

Description: The molecule is an unsaturated fatty acid anion that is the conjugate base of gadelaidic acid, arising from deprotonation of the carboxy group. It is an unsaturated fatty acid anion, an icosanoid anion and a long-chain fatty acid anion. It is a conjugate base of a gadelaidic acid.

SMILES: CCCCCCCCCC/C=C/CCCCCCCC(=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-1]

InChI: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/p-1/b12-11+

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 9.0