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

Systemtic Name: [(E,2S,3R)-3-oxidanyl-2-(tetracosanoylamino)octadec-4-enyl] dihydrogen phosphate Openeye Name: [(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enyl] dihydrogen phosphate CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxotetracosylamino)octadec-4-enyl] dihydrogen phosphate IUPAC Name: [(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enyl] dihydrogen phosphate Traditional Name: [(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enyl] dihydrogen phosphate Formula: C42H84NO6P MolecularWeight: 730.093221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(45)43-40(39-49-50(46,47)48)41(44)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44H,3-34,36,38-39H2,1-2H3,(H,43,45)(H2,46,47,48)/b37-35+/t40-,41+/m0/s1