Ganglioside GQ1b alpha (d18:1(4E)/18:1(9Z))

Properties Image Occurences in reactions MNX_ID MNXM524771 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C106H176N6O55 charge -4 mass 2413.11815 reference slm:000486046 InChIKey XXQWSRIMTJTZOC-OHFOWZKCSA-J InChI InChI=1S/C106H180N6O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-70(133)112-56(57(125)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)49-152-96-83(141)82(140)86(67(47-118)155-96)158-98-85(143)94(167-106(102(150)151)41-61(129)74(110-54(6)123)92(165-106)80(138)66(46-117)161-104(100(146)147)39-59(127)72(108-52(4)121)90(163-104)77(135)63(131)43-114)87(68(48-119)156-98)159-95-75(111-55(7)124)88(81(139)69(157-95)50-153-103(99(144)145)38-58(126)71(107-51(3)120)89(162-103)76(134)62(130)42-113)160-97-84(142)93(79(137)65(45-116)154-97)166-105(101(148)149)40-60(128)73(109-53(5)122)91(164-105)78(136)64(132)44-115/h22-23,34,36,56-69,71-98,113-119,125-132,134-143H,8-21,24-33,35,37-50H2,1-7H3,(H,107,120)(H,108,121)(H,109,122)(H,110,123)(H,111,124)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/p-4/b23-22-,36-34+/t56-,57+,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,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-,98-,103+,104+,105-,106-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCC(=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