736131-61-6

GT3 Sphingosine (d18:1)

IUPAC Name: (2S,4S,5R,6R)-5-acetamido-6-((1S,2R)-2-(((2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3-dihydroxypropyl)-2-(((1S,2R)-1-((2R,3R,4S,6S)-3-acetamido-6-(((2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-6-(((2S,3R,E)-2-amino-3-hydroxyoctadec-4-en-1-yl)oxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-6-carboxy-4-hydroxytetrahydro-2H-pyran-2-yl)-1,3-dihydroxypropan-2-yl)oxy)-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid

InChIKey: IDGPWOCAOQJWIW-YEBUZKEISA-N

SMILES: OC([C@@]1(O[C@@]([C@@H]([C@H](C1)O)NC(C)=O)([H])[C@H](O)[C@@H](CO)O[C@]2(O[C@@]([C@@H]([C@H](C2)O)NC(C)=O)([H])[C@H](O)[C@@H](CO)O[C@]3(O[C@@]([C@@H]([C@H](C3)O)NC(C)=O)([H])[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)OC[C@H](N)[C@H](O)/C=C/CCCCCCCCCCCCC)CO)O)=O