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

Systemtic Name: [(E,2S,3R)-2-(octadecanoylamino)-3-oxidanyl-heptadec-4-enyl] dihydrogen phosphate Openeye Name: [(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)heptadec-4-enyl] dihydrogen phosphate CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxooctadecylamino)heptadec-4-enyl] dihydrogen phosphate IUPAC Name: [(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)heptadec-4-enyl] dihydrogen phosphate Traditional Name: [(E,2S,3R)-3-hydroxy-2-stearamido-heptadec-4-enyl] dihydrogen phosphate Formula: C35H70NO6P MolecularWeight: 631.907161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H70NO6P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(38)36-33(32-42-43(39,40)41)34(37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h28,30,33-34,37H,3-27,29,31-32H2,1-2H3,(H,36,38)(H2,39,40,41)/b30-28+/t33-,34+/m0/s1