GM2 ganglioside

More details:

• Systematic name

  (2R,4R,5S,6S)-5-Acetamido-2-({[(2S,3R,4S,5S,6R)-3-{[(2R,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[( 2R,3S,4E)-3-hydroxy-2-(stearoylamino)-4-octadecen-1-yl]oxy}tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}methyl)-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]tet rahydro-2H-pyran-2-carboxylic acid

• 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[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)NC(=O)C)OC[C@]4(C[C@H]([C@@H]([C@H](O4)[C@H]([C@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@H](/C=C/CCCCCCCCCCCCC)O

• Std. InChi

  InChI=1S/C68H123N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-51(81)71-44(45(78)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-90-65-58(86)57(85)60(49(38-74)93-65)95-66-59(87)63(61(50(39-75)94-66)96-64-53(70-43(4)77)56(84)55(83)48(37-73)92-64)91-41-68(67(88)89)35-46(79)52(69-42(3)76)62(97-68)54(82)47(80)36-72/h31,33,44-50,52-66,72-75,78-80,82-87H,5-30,32,34-41H2,1-4H3,(H,69,76)(H,70,77)(H,71,81)(H,88,89)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-,56+,57+,58+,59+,60+,61-,62+,63+,64-,65-,66-,68-/m1/s1

• Std. InChIKey

  USMMPBVNWHAJBE-YMEOXFOQSA-N

• Cite this record

  CSID:26286730, http://www.chemspider.com/Chemical-Structure.26286730.html (accessed 03:26, Apr 25, 2024)