Ganglioside GD1a (d18:1(4E)/28:6(10Z,13Z,16Z,19Z,22Z,25Z))

Properties Image Occurences in reactions MNX_ID MNXM522631 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C94H154N4O39 charge -2 mass 1963.02012 reference slm:000486237 InChIKey CKXVTUGXVLYRIL-BIWLVSNGSA-L InChI InChI=1S/C94H156N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-68(113)98-58(59(108)44-42-40-38-36-34-32-19-17-15-13-11-9-7-2)54-126-88-77(119)76(118)80(66(52-103)129-88)131-90-79(121)86(137-94(92(124)125)47-61(110)70(96-56(4)106)84(135-94)73(115)63(112)49-100)81(67(53-104)130-90)132-87-71(97-57(5)107)82(74(116)64(50-101)127-87)133-89-78(120)85(75(117)65(51-102)128-89)136-93(91(122)123)46-60(109)69(95-55(3)105)83(134-93)72(114)62(111)48-99/h8,10,14,16,20-21,23-24,26-27,29-30,42,44,58-67,69-90,99-104,108-112,114-121H,6-7,9,11-13,15,17-19,22,25,28,31-41,43,45-54H2,1-5H3,(H,95,105)(H,96,106)(H,97,107)(H,98,113)(H,122,123)(H,124,125)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,30-29-,44-42+/t58-,59+,60-,61-,62+,63+,64+,65+,66+,67+,69+,70+,71+,72+,73+,74-,75-,76+,77+,78+,79+,80+,81-,82+,83+,84+,85-,86+,87-,88+,89-,90-,93-,94-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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@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@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph