Molecule ID: 44343825

IUPAC Name: 2-[[(Z)-octadec-9-enoyl]amino]ethyl dihydrogen phosphate

Description: The molecule is a N-acylethanolamine phosphate in which the acyl group is specifed as (9Z)-octadec-9-enoyl. It is a lysophosphatidic acid-1 (LPA1) receptor agonist. It derives from an oleic acid.

SMILES: CCCCCCCC/C=C\CCCCCCCC(O)=NCCOP(=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][=N][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9-

Molecular Properties:
- Polar Surface Area: 95.9 Ų
- LogP: 5.2