[(E,2S,3R)-2-(octadecanoylamino)-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate

Systemtic Name: [(E,2S,3R)-2-(octadecanoylamino)-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate Openeye Name: [(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] dihydrogen phosphate CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxooctadecylamino)octadec-4-enyl] dihydrogen phosphate IUPAC Name: [(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] dihydrogen phosphate Traditional Name: [(E,2S,3R)-3-hydroxy-2-stearamido-octadec-4-enyl] dihydrogen phosphate Formula: C36H72NO6P MolecularWeight: 645.933741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)O)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C36H72NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)37-34(33-43-44(40,41)42)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38H,3-28,30,32-33H2,1-2H3,(H,37,39)(H2,40,41,42)/b31-29+/t34-,35+/m0/s1