azanium (2-azanyl-3-oxidanyl-3-oxidanylidene-propyl) [(2S)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate

Systemtic Name: azanium (2-azanyl-3-oxidanyl-3-oxidanylidene-propyl) [(2S)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate Openeye Name: ammonium (2-amino-3-hydroxy-3-oxo-propyl) [(2S)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate CAS Name: ammonium (2-amino-3-hydroxy-3-oxopropyl) [(2S)-2-[(Z)-1-oxooctadec-9-enoxy]-3-(1-oxooctadecoxy)propyl] phosphate IUPAC Name: azanium (2-amino-3-hydroxy-3-oxopropyl) [(2S)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate Traditional Name: ammonium (2-amino-3-hydroxy-3-keto-propyl) [(2S)-2-[(Z)-octadec-9-enoyl]oxy-3-stearoyloxy-propyl] phosphate Formula: C42H83N2O10P MolecularWeight: 807.089581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC(C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC.[NH4+]

InChI

InChI=1S/C42H80NO10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h18,20,38-39H,3-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49);1H3/b20-18-;/t38-,39?;/m0./s1