2-O-[1-O-[1-O-[1-O-[1-O-[(2S,3R,4E)-2-(Octadecanoylamino)-3-hydroxy-4-octadecenyl]-4-deoxy-beta-D-glucopyranose-4-yl]-3-deoxy-beta-D-galactopyranose-3-yl]-2-(acetylamino)-6-O-(sodiosulfo)-2,4-dideoxy-beta-D-glucopyranose-4-yl]-3-deoxy-beta-D-galactopyranose-3-yl]-N-acetyl-alpha-neuraminic acid sodium salt

Compound Identifiers & Properties

PubChem CID

101868920

SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)N=C(C)[O-])O)C(=O)O)O)O)N=C(C)[O-])O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O.[Na+].[Na+]

Canonical SMILES

CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](N=C(C)[O-])[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3N=C(C)[O-])[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC.[Na+].[Na+]