Molecule ID: 129011081

IUPAC Name: 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoate

Description: The molecule is a 2-monoglyceride obtained by formal condensation of the carboxy group of 15(S)-HPETE with the 2-hydroxy group of glycerol. It is a 2-monoglyceride and a lipid hydroperoxide. It derives from a 15(S)-HPETE.

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

SELFIES: [C][C][C][C][C][C@@H1][Branch2][Ring1][#Branch2][/C][=C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][C][O][O][O]

InChI: InChI=1S/C23H38O6/c1-2-3-13-16-21(29-27)17-14-11-9-7-5-4-6-8-10-12-15-18-23(26)28-22(19-24)20-25/h4-5,8-11,14,17,21-22,24-25,27H,2-3,6-7,12-13,15-16,18-20H2,1H3/b5-4-,10-8-,11-9-,17-14+/t21-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 4.1