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

Systemtic Name: azanium [(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl] [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate Openeye Name: ammonium [(2S)-2-amino-3-hydroxy-3-oxo-propyl] [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate CAS Name: ammonium [(2S)-2-amino-3-hydroxy-3-oxopropyl] [(2R)-3-(1-oxohexadecoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propyl] phosphate IUPAC Name: azanium [(2S)-2-amino-3-hydroxy-3-oxopropyl] [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate Traditional Name: ammonium [(2S)-2-amino-3-hydroxy-3-keto-propyl] [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate Formula: C40H79N2O10P MolecularWeight: 779.036421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H76NO10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47);1H3/b18-17-;/t36-,37+;/m1./s1