Molecule ID: 12304080

IUPAC Name: 3-hydroxy-2-tetradecyloctadecanoic acid

Description: The molecule is a thirty-two membered mycolic acid consisting of 3-hydroxystearic acid having a tetradecyl group at the 2-position. It is a mycolic acid and a 3-hydroxy fatty acid.

SMILES: CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][Branch1][#C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)30(32(34)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,33H,3-29H2,1-2H3,(H,34,35)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 14.3