2456348-97-1

12:0 Pyrene GM1 ammonium

IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-(((2R,3S,4R,5R,6S)-3-(((2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(((2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(((2S,3R,E)-3-hydroxy-2-(12-(pyren-1-yl)dodecanamido)octadec-4-en-1-yl)oxy)-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid, ammonia salt

InChIKey: OQLJZOCQAAZEOC-PMCMQYKXSA-N

SMILES: OC[C@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4O[C@@H]([C@@H]([C@@H]([C@H]4O)O)O)CO)NC(C)=O)O[C@]5(O[C@@]([C@@H]([C@H](C5)O)NC(C)=O)([H])[C@H](O)[C@H](O)CO)C(O)=O)O)O[C@H]1OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCC6=C7C8=C9C(C=C7)=CC=CC9=CC=C8C=C6)=O.N