Molecule ID: 86289411

IUPAC Name: (5Z,7E,9R,11Z,14Z)-9-hydroperoxyicosa-5,7,11,14-tetraenoate

Description: The molecule is a HPETE anion obtained by deprotonation of the carboxy group of 9(R)-HPETE; major species at pH 7.3. It is a HPETE anion and a 9-HPETE(1-). It is an enantiomer of a 9(S)-HPETE(1-).

SMILES: CCCCC/C=C\C/C=C\C[C@H](/C=C/C=C\CCCC(=O)[O-])OO

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C][C@H1][Branch1][=N][/C][=C][/C][=C][\C][C][C][C][=Branch1][C][=O][O-1][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)/p-1/b7-6-,11-9-,13-10-,17-14+/t19-/m1/s1

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