Ganglioside GT1a alpha (d18:1(4E)/12:0)

Properties Image Occurences in reactions MNX_ID MNXM525142 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C89H150N5O47 charge -3 mass 2040.95176 reference slm:000485964 InChIKey PXBGDHVEWKDGND-LHUAXXOLSA-K InChI InChI=1S/C89H153N5O47/c1-7-9-11-13-15-17-18-19-20-22-23-25-27-29-47(105)46(94-58(112)30-28-26-24-21-16-14-12-10-8-2)40-128-81-69(119)68(118)72(55(38-99)131-81)134-83-71(121)79(141-89(86(126)127)33-50(108)61(92-44(5)103)77(139-89)65(115)53(111)36-97)73(56(39-100)132-83)135-80-62(93-45(6)104)74(67(117)57(133-80)41-129-87(84(122)123)31-48(106)59(90-42(3)101)75(137-87)63(113)51(109)34-95)136-82-70(120)78(66(116)54(37-98)130-82)140-88(85(124)125)32-49(107)60(91-43(4)102)76(138-88)64(114)52(110)35-96/h27,29,46-57,59-83,95-100,105-111,113-121H,7-26,28,30-41H2,1-6H3,(H,90,101)(H,91,102)(H,92,103)(H,93,104)(H,94,112)(H,122,123)(H,124,125)(H,126,127)/p-3/b29-27+/t46-,47+,48-,49-,50-,51+,52+,53+,54+,55+,56+,57+,59+,60+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73-,74+,75+,76+,77+,78-,79+,80-,81+,82-,83-,87+,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@]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@]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)NC(=O)CCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph