Molecule ID: 24779360

IUPAC Name: [(2R)-3-hexadecanoyloxy-2-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Description: The molecule is a 1-acyl-2-alkyl-sn-glycero-3-phosphocholine in which the acyl and alkyl groups at posiitons 1 and 2 are specified respectively as hexadecanoyl and methyl. It has a role as a mouse metabolite. It is a 1-acyl-2-alkyl-sn-glycero-3-phosphocholine and a hexadecanoic acid.

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

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

InChI: InChI=1S/C25H52NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)31-22-24(30-5)23-33-34(28,29)32-21-20-26(2,3)4/h24H,6-23H2,1-5H3/t24-/m1/s1

Molecular Properties:
- Polar Surface Area: 94.1 Ų
- LogP: 6.1