Ganglioside GD1a alpha (d18:1(4E)/24:5(6Z,9Z,12Z,15Z,18Z))

Properties Image Occurences in reactions MNX_ID MNXM522702 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H148N4O39 charge -2 mass 1908.97317 reference slm:000486195 InChIKey MSFCWOWGBHRPER-SCMCLLLZSA-L InChI InChI=1S/C90H150N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(108)94-54(55(103)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-122-84-74(115)72(113)78(61(47-98)125-84)129-85-75(116)73(114)77(62(48-99)126-85)128-83-67(93-53(5)102)79(71(112)63(127-83)50-123-89(87(118)119)42-56(104)65(91-51(3)100)80(131-89)68(109)58(106)44-95)130-86-76(117)82(70(111)60(46-97)124-86)133-90(88(120)121)43-57(105)66(92-52(4)101)81(132-90)69(110)59(107)45-96/h14,16,20-21,23-24,26-27,31,33,38,40,54-63,65-86,95-99,103-107,109-117H,6-13,15,17-19,22,25,28-30,32,34-37,39,41-50H2,1-5H3,(H,91,100)(H,92,101)(H,93,102)(H,94,108)(H,118,119)(H,120,121)/p-2/b16-14-,21-20-,24-23-,27-26-,33-31-,40-38+/t54-,55+,56-,57-,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70-,71-,72+,73+,74+,75+,76+,77-,78+,79+,80+,81+,82-,83-,84+,85-,86-,89+,90-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)N[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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph