Ganglioside GA2 (d18:1/12:0)

More details:

• Systematic name

  N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]dodecanamide

• SMILES

  CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C([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)O)O)O)O)NC(=O)CCCCCCCCCCC)O

• Std. InChi

  InChI=1S/C50H92N2O18/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-34(57)33(52-38(58)27-25-23-21-18-13-11-9-7-5-2)31-65-49-44(63)42(61)47(36(29-54)67-49)70-50-45(64)43(62)46(37(30-55)68-50)69-48-39(51-32(3)56)41(60)40(59)35(28-53)66-48/h24,26,33-37,39-50,53-55,57,59-64H,4-23,25,27-31H2,1-3H3,(H,51,56)(H,52,58)/b26-24+/t33-,34+,35+,36+,37+,39+,40-,41+,42+,43+,44?,45+,46-,47+,48-,49+,50-/m0/s1

• Std. InChIKey

  XXEIIEJSVKUHCZ-SJVSDXKXSA-N

• Cite this record

  CSID:17216280, http://www.chemspider.com/Chemical-Structure.17216280.html (accessed 09:00, Apr 23, 2024)