Molecule ID: 21672239

IUPAC Name: [(2R)-2-hydroxy-3-[(Z)-octadec-11-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Description: The molecule is a 1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as (11Z)-octadecenyl. It has a role as a human xenobiotic metabolite. It is a lysophosphatidylcholine O-18:1 and a 1-alkyl-sn-glycero-3-phosphocholine.

SMILES: CCCCCC/C=C\CCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C

SELFIES: [C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][O][C][C@@H1][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h10-11,26,28H,5-9,12-25H2,1-4H3/b11-10-/t26-/m1/s1

Molecular Properties:
- Polar Surface Area: 88.0 Ų
- LogP: 6.1