Molecule ID: 5885531

IUPAC Name: (2-hydroxy-3-phosphonooxypropyl) (E)-octadec-9-enoate

Description: The molecule is a 2-lysophosphatidic acid. It has a role as a mitogen and a human metabolite. It derives from an octadec-9-enoic acid.

SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9+

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 5.2