Molecule ID: 72193744

IUPAC Name: (2R,9Z,12Z,15Z)-2-hydroperoxyoctadeca-9,12,15-trienoate

Description: The molecule is a hydroperoxy fatty acid anion that is the conjugate base of (R)-2-hydroperoxy-alpha-linolenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion, a polyunsaturated fatty acid anion, a hydroperoxyoctadecatrienoate, a hydroperoxy polyunsaturated fatty acid anion and a (2R)-2-hydroperoxy fatty acid anion. It derives from an alpha-linolenate. It is a conjugate base of a (R)-2-hydroperoxy-alpha-linolenic acid.

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

SELFIES: [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C@@H1][Branch1][Ring1][O][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22-21)18(19)20/h3-4,6-7,9-10,17,21H,2,5,8,11-16H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-/t17-/m1/s1

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