Molecule ID: 42607418

IUPAC Name: 2-dimethylsulfonioethyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate

Description: The molecule is a 1,2-diacyl-sn-glycero-3-phosphosulfocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl). It has a role as an antigen. It is a 1,2-diacyl-sn-glycero-3-phosphosulfocholine and a tetradecanoate ester.

SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[S+](C)C)OC(=O)CCCCCCCCCCCCC

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

InChI: InChI=1S/C35H69O8PS/c1-5-7-9-11-13-15-17-19-21-23-25-27-34(36)40-31-33(32-42-44(38,39)41-29-30-45(3)4)43-35(37)28-26-24-22-20-18-16-14-12-10-8-6-2/h33H,5-32H2,1-4H3/t33-/m1/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 11.9