Ganglioside Ac-O-9-GD1a (d18:1(4E)/16:1(6Z))

Properties Image Occurences in reactions MNX_ID MNXM1069065 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C84H142N4O40 charge -2 mass 1846.92113 reference slm:000762182 InChIKey CSVHWXIUZCOHRC-UTJUDKPNSA-L InChI InChI=1S/C84H144N4O40/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(98)48(88-58(103)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-117-78-67(109)66(108)70(56(40-92)120-78)122-80-69(111)76(128-84(82(114)115)36-51(100)59(85-44(3)94)73(125-84)62(104)52(101)37-89)71(57(41-93)121-80)123-77-61(87-46(5)96)72(64(106)54(38-90)118-77)124-79-68(110)75(65(107)55(39-91)119-79)127-83(81(112)113)35-50(99)60(86-45(4)95)74(126-83)63(105)53(102)43-116-47(6)97/h24,26,31,33,48-57,59-80,89-93,98-102,104-111H,7-23,25,27-30,32,34-43H2,1-6H3,(H,85,94)(H,86,95)(H,87,96)(H,88,103)(H,112,113)(H,114,115)/p-2/b26-24-,33-31+/t48-,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-,83-,84-/m0/s1 SMILES CCCCCCCCC/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@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)COC(C)=O)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