Molecule ID: 86289458

IUPAC Name: (6Z,8E,10R,12Z)-10-hydroperoxyoctadeca-6,8,12-trienoate

Description: The molecule is a polyunsaturated fatty acid anion that is the conjugate base of 10(R)-HPO(6,8,12)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It derives from a gamma-linolenate. It is a conjugate base of a 10(R)-HPO(6,8,12)TrE.

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

SELFIES: [C][C][C][C][C][/C][=C][\C][C@H1][Branch1][=C][/C][=C][/C][=C][\C][C][C][C][C][=Branch1][C][=O][O-1][O][O]

InChI: InChI=1S/C18H30O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h6,8-9,11-12,15,17,21H,2-5,7,10,13-14,16H2,1H3,(H,19,20)/p-1/b9-6-,11-8-,15-12+/t17-/m1/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 5.5