Molecule ID: 132282063

IUPAC Name: 2-[[(2R)-3-hexadecanoyloxy-2-[(9E,13E)-octadeca-9,13-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Description: The molecule is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups specified at positions 1 and 2 are palmitoyl (hexadecanoyl) and (9E,13E)-octadeca-9,13-dienoyl respectively.

SMILES: CCCC/C=C/CC/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)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][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h12,14,20-21,40H,6-11,13,15-19,22-39H2,1-5H3/p+1/b14-12+,21-20+/t40-/m1/s1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 12.8