Molecule ID: 86289451

IUPAC Name: methyl (5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate

Description: The molecule is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12(R)-HPETE with methanol. It is a fatty acid methyl ester and a lipid hydroperoxide. It derives from a 12(R)-HPETE and a methyl arachidonate. It is an enantiomer of a 12(S)-HPETE methyl ester.

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

SELFIES: [C][C][C][C][C][/C][=C][\C][C@H1][Branch1][P][/C][=C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C][O][O]

InChI: InChI=1S/C21H34O4/c1-3-4-5-6-11-14-17-20(25-23)18-15-12-9-7-8-10-13-16-19-21(22)24-2/h8-12,14-15,18,20,23H,3-7,13,16-17,19H2,1-2H3/b10-8-,12-9-,14-11-,18-15+/t20-/m1/s1

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 5.6