[(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] (trimethylazaniumyl)methyl phosphate

Systemtic Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] (trimethylazaniumyl)methyl phosphate Openeye Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enyl] (trimethylammonio)methyl phosphate CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxohexadecylamino)octadec-4-enyl] (trimethylammonio)methyl phosphate IUPAC Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] (trimethylazaniumyl)methyl phosphate Traditional Name: [(E,2S,3R)-3-hydroxy-2-palmitamido-octadec-4-enyl] (trimethylammonio)methyl phosphate Formula: C38H77N2O6P MolecularWeight: 689.001541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C38H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(41)36(34-45-47(43,44)46-35-40(3,4)5)39-38(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,36-37,41H,6-29,31,33-35H2,1-5H3,(H-,39,42,43,44)/b32-30+/t36-,37+/m0/s1