Molecule ID: 16061058

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

Description: The molecule is a HOTrE that is alpha-linolenic acid substituted at position 2 by a hydroxy group (the R-enantiomer) It is a HOTrE and a 2-hydroxy fatty acid. It derives from an alpha-linolenic acid. It is a conjugate acid of a (R)-2-hydroxy-alpha-linolenate.

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

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

InChI: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-/t17-/m1/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.2