Molecule ID: 5283173

IUPAC Name: (5Z,7E,11Z,14Z)-9-hydroperoxyicosa-5,7,11,14-tetraenoic acid

Description: The molecule is a HPETE in which the hydroxy group is located at position 9 with the four double bonds at positions 5, 7, 11 and 14 (the 5Z,7E,11Z,14Z geoisomer). It is a conjugate acid of a 9-HPETE(1-).

SMILES: CCCCC/C=C\C/C=C\CC(/C=C/C=C\CCCC(=O)O)OO

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

InChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.2