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

Systemtic Name: [(E,2S,3R)-2-(docosanoylamino)-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate Openeye Name: [(E,2S,3R)-2-(docosanoylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxodocosylamino)octadec-4-enyl] dihydrogen phosphate IUPAC Name: [(E,2S,3R)-2-(docosanoylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate Traditional Name: [(E,2S,3R)-2-(docosanoylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate Formula: C40H80NO6P MolecularWeight: 702.040061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H80NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(43)41-38(37-47-48(44,45)46)39(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42H,3-32,34,36-37H2,1-2H3,(H,41,43)(H2,44,45,46)/b35-33+/t38-,39+/m0/s1