Molecule ID: 102571770

IUPAC Name: (6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate

Description: The molecule is a HPETE anion that is the conjugate base of 5-HPETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 5-HPETE.

SMILES: CCCCC/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][\C][=C][\C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O-1][O][O]

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

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 5.9