Molecule ID: 86289726

IUPAC Name: (E,20R)-20-hydroxyhenicos-2-enoic acid

Description: The molecule is an (omega-1)-hydroxy fatty acid that is henicosanoic acid in which a double bond with E configuration has been introduced at the 2-3 position and in which the pro-R hydrogen at position 20 has been replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a long-chain fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a hydroxy monounsaturated fatty acid.

SMILES: C[C@@H](O)CCCCCCCCCCCCCCCC/C=C/C(=O)O

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

InChI: InChI=1S/C21H40O3/c1-20(22)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21(23)24/h17,19-20,22H,2-16,18H2,1H3,(H,23,24)/b19-17+/t20-/m1/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 8.0