Ganglioside GD1b (d18:1(4E)/23:0)

Properties Image Occurences in reactions MNX_ID MNXM522782 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C89H156N4O39 charge -2 mass 1905.03577 reference slm:000487339 InChIKey FSYLQHBECOBBDQ-WGWGAQOESA-L InChI InChI=1S/C89H158N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(107)93-53(54(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-121-83-74(115)72(113)76(61(47-98)124-83)126-85-75(116)81(77(62(48-99)125-85)127-82-66(92-52(5)102)78(69(110)59(45-96)122-82)128-84-73(114)71(112)68(109)58(44-95)123-84)132-89(87(119)120)42-56(105)65(91-51(4)101)80(131-89)70(111)60(46-97)129-88(86(117)118)41-55(104)64(90-50(3)100)79(130-88)67(108)57(106)43-94/h37,39,53-62,64-85,94-99,103-106,108-116H,6-36,38,40-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,102)(H,93,107)(H,117,118)(H,119,120)/p-2/b39-37+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,62+,64+,65+,66+,67+,68-,69-,70+,71-,72+,73+,74+,75+,76+,77-,78+,79+,80+,81+,82-,83+,84-,85-,88+,89-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph