Molecule ID: 23724727

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

Description: The molecule is a hydroperoxy fatty acid that is alpha-linolenic acid having a single hydroperoxy substituent located at the 2R-position. It is a hydroperoxyoctadecatrienoic acid and a (2R)-hydroperoxy fatty acid. It derives from an alpha-linolenic acid. It is a conjugate acid of a (R)-2-hydroperoxy-alpha-linolenate.

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]

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)/b4-3-,7-6-,10-9-/t17-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.2