Ganglioside GQ1b (d18:1(4E)/iso17:0)

Properties Image Occurences in reactions MNX_ID MNXM524756 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C105H176N6O55 charge -4 mass 2401.11815 reference slm:000486776 InChIKey JXKVNNSZZFXAKZ-TUVRJDHWSA-J InChI InChI=1S/C105H180N6O55/c1-9-10-11-12-13-14-15-16-19-22-25-28-31-34-56(125)55(111-69(132)35-32-29-26-23-20-17-18-21-24-27-30-33-49(2)3)48-151-95-82(140)81(139)85(67(46-118)154-95)156-97-84(142)93(166-105(101(149)150)39-60(129)73(109-53(7)123)91(164-105)80(138)66(45-117)160-103(99(145)146)37-58(127)71(107-51(5)121)89(162-103)76(134)62(131)41-113)86(68(47-119)155-97)157-94-74(110-54(8)124)87(77(135)63(42-114)152-94)158-96-83(141)92(78(136)64(43-115)153-96)165-104(100(147)148)38-59(128)72(108-52(6)122)90(163-104)79(137)65(44-116)159-102(98(143)144)36-57(126)70(106-50(4)120)88(161-102)75(133)61(130)40-112/h31,34,49,55-68,70-97,112-119,125-131,133-142H,9-30,32-33,35-48H2,1-8H3,(H,106,120)(H,107,121)(H,108,122)(H,109,123)(H,110,124)(H,111,132)(H,143,144)(H,145,146)(H,147,148)(H,149,150)/p-4/b34-31+/t55-,56+,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79+,80+,81+,82+,83+,84+,85+,86-,87+,88+,89+,90+,91+,92-,93+,94-,95+,96-,97-,102+,103+,104-,105-/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@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](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)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](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)NC(=O)CCCCCCCCCCCCCC(C)C

Parent-child relations graph

Deprecated MNXref IDs graph