Molecule ID: 136212575

IUPAC Name: 2-azaniumylethyl [(2R)-3-[(Z)-heptadec-10-enoyl]oxy-2-hydroxypropyl] phosphate

Description: The molecule is a 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-(10Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine.

SMILES: CCCCCC/C=C\CCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN

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

InChI: InChI=1S/C22H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h7-8,21,24H,2-6,9-20,23H2,1H3,(H,26,27)/b8-7-/t21-/m1/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: 4.2