Molecule ID: 24779290

IUPAC Name: [(2R)-2-formyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Description: The molecule is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and formyl respectively. It has a role as a mouse metabolite.

SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC=O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=O]

InChI: InChI=1S/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30-22-25(31-24-27)23-33-34(28,29)32-21-19-26(2,3)4/h24-25H,5-23H2,1-4H3/t25-/m1/s1

Molecular Properties:
- Polar Surface Area: 94.1 Ų
- LogP: 6.5