Ganglioside GA1 (d18:1/22:0)

More details:

• Systematic name

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

• SMILES

  CCCCCCCCCCCCCCCCCCCCCC(=O)N[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[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

• Std. InChi

  InChI=1S/C66H122N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(75)68-44(45(74)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-84-64-58(82)55(79)61(48(40-71)87-64)90-66-59(83)56(80)60(49(41-72)88-66)89-63-51(67-43(3)73)62(53(77)47(39-70)85-63)91-65-57(81)54(78)52(76)46(38-69)86-65/h34,36,44-49,51-66,69-72,74,76-83H,4-33,35,37-42H2,1-3H3,(H,67,73)(H,68,75)/b36-34+/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54-,55+,56+,57+,58?,59+,60-,61+,62+,63-,64+,65-,66-/m0/s1

• Std. InChIKey

  SFQALHZMYKXUDN-NNQLCXAVSA-N

• Cite this record

  CSID:17216296, http://www.chemspider.com/Chemical-Structure.17216296.html (accessed 01:52, Apr 30, 2024)