Molecule ID: 124202367

IUPAC Name: (5Z,7E,11Z,14Z,17Z)-9-hydroxyicosa-5,7,11,14,17-pentaenoate

Description: The molecule is a HEPE(1-) that is the conjugate base of 9-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 9-HEPE.

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

SELFIES: [C][C][/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/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,17,19,21H,2,5,8,12,15-16,18H2,1H3,(H,22,23)/p-1/b4-3-,7-6-,11-9-,13-10-,17-14+

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 5.1