2-(methylazaniumyl)ethyl [3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-oxidanyl-propyl] phosphate

Systemtic Name: 2-(methylazaniumyl)ethyl [3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-oxidanyl-propyl] phosphate Openeye Name: [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] 2-(methylammonio)ethyl phosphate CAS Name: [2-hydroxy-3-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] 2-(methylammonio)ethyl phosphate IUPAC Name: [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(methylazaniumyl)ethyl phosphate Traditional Name: [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] 2-(methylammonio)ethyl phosphate Formula: C24H46NO7P MolecularWeight: 491.598301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH2+]C)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH2+]C)O

InChI

InChI=1S/C24H46NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25-2/h7-8,10-11,23,25-26H,3-6,9,12-22H2,1-2H3,(H,28,29)/b8-7-,11-10-