2-azaniumyl-3-[[3-icosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanidyl-phosphoryl]oxy-propanoate

Systemtic Name: 2-azaniumyl-3-[[3-icosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanidyl-phosphoryl]oxy-propanoate Openeye Name: 2-azaniumyl-3-[[3-icosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxido-phosphoryl]oxy-propanoate CAS Name: 2-ammonio-3-[oxido-[3-(1-oxoeicosoxy)-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propoxy]phosphoryl]oxypropanoate IUPAC Name: 2-azaniumyl-3-[[3-icosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate Traditional Name: 2-ammonio-3-[[3-eicosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxido-phosphoryl]oxy-propionate Formula: C44H81NO10P- MolecularWeight: 815.088401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C44H82NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,40-41H,3-11,13,15-17,19-20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/p-1/b14-12-,21-18-