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

Systemtic Name: 2-azanyl-3-[[3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: 2-amino-3-[[3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxy-propanoic acid CAS Name: 2-amino-3-[hydroxy-[3-(1-oxohexadecoxy)-2-[(E)-1-oxooctadec-9-enoxy]propoxy]phosphoryl]oxypropanoic acid IUPAC Name: 2-amino-3-[[3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid Traditional Name: 2-amino-3-[[3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxy-propionic acid Formula: C40H76NO10P MolecularWeight: 762.005901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H76NO10P/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)/b18-17+