Molecule ID: 122391313

IUPAC Name: (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosa-5,9,11,14,17-pentaenoate

Description: The molecule is an icosanoid anion that is the conjugate base of (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3 It is a long-chain fatty acid anion and a hydroperoxyicosapentaenoate. It derives from an all-cis-5,8,11,14,17-icosapentaenoate. It is a conjugate base of a (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid.

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

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

InChI: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h3-4,6-7,9-11,13-14,16,19,23H,2,5,8,12,15,17-18H2,1H3,(H,21,22)/p-1/b4-3-,7-6-,10-9-,14-11-,16-13+

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 5.2