(2S,3R)-2-azanyl-3-[[(2R)-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-butanoic acid

Systemtic Name: (2S,3R)-2-azanyl-3-[[(2R)-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-butanoic acid Openeye Name: (2S,3R)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxy-propoxy]phosphoryl]oxy-butanoic acid CAS Name: (2S,3R)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxybutanoic acid IUPAC Name: (2S,3R)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxybutanoic acid Traditional Name: (2S,3R)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-stearoyloxy-propoxy]phosphoryl]oxy-butyric acid Formula: C25H50NO9P MolecularWeight: 539.639561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC(C)C(C(=O)O)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H](C)[C@@H](C(=O)O)N)O

InChI

InChI=1S/C25H50NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)33-19-22(27)20-34-36(31,32)35-21(2)24(26)25(29)30/h21-22,24,27H,3-20,26H2,1-2H3,(H,29,30)(H,31,32)/t21-,22-,24+/m1/s1