68652-37-9

Ganglioside GQ1b (bovine) sodium

Synonym(s): ​Tetrasialoganglioside GQ1b sodium

IUPAC Name: sodium (2S,4S,5R,6R)-5-acetamido-2-(((2R,3R,4S,5S,6R)-2-(((2S,3R,4R,5R,6R)-3-acetamido-2-(((2R,3S,4R,5R,6S)-4-(((2S,4S,5R,6R)-5-acetamido-6-((1R,2R)-2-(((2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3-dihydroxypropyl)-2-carboxylato-4-hydroxytetrahydro-2H-pyran-2-yl)oxy)-6-(((2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(((2S,3R,E)-3-hydroxy-2-stearamidooctadec-4-en-1-yl)oxy)-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-6-((1R,2R)-2-(((2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3-dihydroxypropyl)-4-hydroxytetrahydro-2H-pyran-2-carboxylate

SMILES: OC[C@@H](O1)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(O[C@@H]([C@H]([C@H](O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(C)=O)O)C(O[Na])=O)CO)O)[C@H](NC(C)=O)[C@@H](O)C5)C(O[Na])=O)[C@H]4O)[C@@H](O)[C@@H](CO)O3)[C@H](O[C@]7(O[C@@H]([C@H]([C@@H](CO)O[C@]8(O[C@@H]([C@@H]([C@@H](CO)O)O)[C@H](NC(C)=O)[C@@H](O)C8)C(O[Na])=O)O)[C@H](NC(C)=O)[C@@H](O)C7)C(O[Na])=O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1OC[Ceramide]