Molecule ID: 132274135

IUPAC Name: [(2R)-3-hydroxy-2-[(Z)-12-hydroxyoctadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Description: The molecule is a 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (9Z)-12-hydroxyoctadec-9-enoyl. It is a 2-acyl-sn-glycero-3-phosphocholine and a ricinoleoyl-sn-glycero-3-phosphocholine. It derives from a (9Z)-12-hydroxyoctadec-9-enoic acid.

SMILES: CCCCCCC(O)C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C

SELFIES: [C][C][C][C][C][C][C][Branch1][C][O][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][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/C26H52NO8P/c1-5-6-7-14-17-24(29)18-15-12-10-8-9-11-13-16-19-26(30)35-25(22-28)23-34-36(31,32)33-21-20-27(2,3)4/h12,15,24-25,28-29H,5-11,13-14,16-23H2,1-4H3/b15-12-/t24?,25-/m1/s1

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: 4.2