Molecule ID: 6437084

IUPAC Name: (5Z,8Z,11Z,13E)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid

Description: The molecule is a HPETE that consists of (5Z,8Z,11Z,13E)-icosatetraenoic acid in which the hydroperoxy group is located at position 15. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a 15-HPETE(1-).

SMILES: CCCCCC(/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO

SELFIES: [C][C][C][C][C][C][Branch2][Ring1][Ring1][/C][=C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][O][O]

InChI: InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.1