Ganglioside GD1b (d18:1(4E)/28:4(13Z,16Z,19Z,22Z))

Properties Image Occurences in reactions MNX_ID MNXM522796 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C94H158N4O39 charge -2 mass 1967.05142 reference slm:000487271 InChIKey YXZWKWVHWOXFBX-CUKMSINGSA-L InChI InChI=1S/C94H160N4O39/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(112)98-58(59(108)44-42-40-38-36-34-32-19-17-15-13-11-9-7-2)54-126-88-79(120)77(118)81(66(52-103)129-88)131-90-80(121)86(82(67(53-104)130-90)132-87-71(97-57(5)107)83(74(115)64(50-101)127-87)133-89-78(119)76(117)73(114)63(49-100)128-89)137-94(92(124)125)47-61(110)70(96-56(4)106)85(136-94)75(116)65(51-102)134-93(91(122)123)46-60(109)69(95-55(3)105)84(135-93)72(113)62(111)48-99/h14,16,20-21,23-24,26-27,42,44,58-67,69-90,99-104,108-111,113-121H,6-13,15,17-19,22,25,28-41,43,45-54H2,1-5H3,(H,95,105)(H,96,106)(H,97,107)(H,98,112)(H,122,123)(H,124,125)/p-2/b16-14-,21-20-,24-23-,27-26-,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 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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@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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph