2-azanyl-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid

Systemtic Name: 2-azanyl-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: 2-amino-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxy-propanoic acid CAS Name: 2-amino-3-[hydroxy-[3-(1-oxodocosoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propoxy]phosphoryl]oxypropanoic acid IUPAC Name: 2-amino-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid Traditional Name: 2-amino-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxy-propionic acid Formula: C46H88NO10P MolecularWeight: 846.165381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,42-43H,3-17,19-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b23-18-