Molecule ID: 86289253

IUPAC Name: [3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-oxopropyl] phosphate

Description: The molecule is a 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-(9Z,12Z)-octadecadienylglycerone 3-phosphate; major species at pH 7.3. It is a conjugate base of a 1-(9Z,12Z)-octadecadienylglycerone 3-phosphate.

SMILES: CCCCC/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-]

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][O][C][C][=Branch1][C][=O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h6-7,9-10H,2-5,8,11-20H2,1H3,(H2,23,24,25)/p-2/b7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 98.7 Ų
- LogP: 5.1