Ganglioside GQ1b alpha (d18:1(4E)/38:5(20Z,23Z,26Z,29Z,32Z))

Properties Image Occurences in reactions MNX_ID MNXM524832 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C126H208N6O55 charge -4 mass 2685.36855 reference slm:000486065 InChIKey BKESZMFYQMLEDC-LYSUIMCRSA-J InChI InChI=1S/C126H212N6O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-47-49-51-53-55-57-90(153)132-76(77(145)56-54-52-50-48-46-44-21-19-17-15-13-11-9-2)69-172-116-103(161)102(160)106(87(67-138)175-116)178-118-105(163)114(187-126(122(170)171)61-81(149)94(130-74(6)143)112(185-126)100(158)86(66-137)181-124(120(166)167)59-79(147)92(128-72(4)141)110(183-124)97(155)83(151)63-134)107(88(68-139)176-118)179-115-95(131-75(7)144)108(101(159)89(177-115)70-173-123(119(164)165)58-78(146)91(127-71(3)140)109(182-123)96(154)82(150)62-133)180-117-104(162)113(99(157)85(65-136)174-117)186-125(121(168)169)60-80(148)93(129-73(5)142)111(184-125)98(156)84(152)64-135/h16,18,22-23,25-26,28-29,31-32,54,56,76-89,91-118,133-139,145-152,154-163H,8-15,17,19-21,24,27,30,33-53,55,57-70H2,1-7H3,(H,127,140)(H,128,141)(H,129,142)(H,130,143)(H,131,144)(H,132,153)(H,164,165)(H,166,167)(H,168,169)(H,170,171)/p-4/b18-16-,23-22-,26-25-,29-28-,32-31-,56-54+/t76-,77+,78-,79-,80-,81-,82+,83+,84+,85+,86+,87+,88+,89+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100+,101-,102+,103+,104+,105+,106+,107-,108+,109+,110+,111+,112+,113-,114+,115-,116+,117-,118-,123+,124+,125-,126-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=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@]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](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