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

Systemtic Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate Openeye Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxohexadecylamino)octadec-4-enyl] dihydrogen phosphate IUPAC Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate Traditional Name: [(E,2S,3R)-3-hydroxy-2-palmitamido-octadec-4-enyl] dihydrogen phosphate Formula: C34H68NO6P MolecularWeight: 617.880581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H68NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b29-27+/t32-,33+/m0/s1