Molecule ID: 134160377

IUPAC Name: 21-hydroxyhenicosanoate

Description: The molecule is an omega-hydroxy fatty acid anion resulting from deprotonation of the carboxy group of 21-hydroxyhenicosanoic acid. The major species at pH 7.3. It is a conjugate base of a 21-hydroxyhenicosanoic acid.

SMILES: O=C([O-])CCCCCCCCCCCCCCCCCCCCO

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]

InChI: InChI=1S/C21H42O3/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24/h22H,1-20H2,(H,23,24)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 8.9