Molecule ID: 86289427

IUPAC Name: (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate

Description: The molecule is a polyunsaturated fatty acid anion that is the conjugate base of 9-HOTrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion, a polyunsaturated fatty acid anion and a hydroxy fatty acid anion. It is a conjugate base of a 9-HOTrE.

SMILES: CC/C=C\C/C=C\C=C\C(O)CCCCCCCC(=O)[O-]

SELFIES: [C][C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/p-1/b4-3-,8-6-,14-11+

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 5.3