Ganglioside GQ1b (d18:1(4E)/26:5(11Z,14Z,17Z,20Z,23Z))

Properties Image Occurences in reactions MNX_ID MNXM524721 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C114H184N6O55 charge -4 mass 2517.18075 reference slm:000486748 InChIKey DAOFKTLICVSGAF-YIQJVWOISA-J InChI InChI=1S/C114H188N6O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-78(141)120-64(65(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)58-160-104-91(149)90(148)94(76(56-127)163-104)165-106-93(151)102(175-114(110(158)159)49-69(138)82(118-62(6)132)100(173-114)89(147)75(55-126)169-112(108(154)155)47-67(136)80(116-60(4)130)98(171-112)85(143)71(140)51-122)95(77(57-128)164-106)166-103-83(119-63(7)133)96(86(144)72(52-123)161-103)167-105-92(150)101(87(145)73(53-124)162-105)174-113(109(156)157)48-68(137)81(117-61(5)131)99(172-113)88(146)74(54-125)168-111(107(152)153)46-66(135)79(115-59(3)129)97(170-111)84(142)70(139)50-121/h10,12,16,18,22-23,25-26,28-29,42,44,64-77,79-106,121-128,134-140,142-151H,8-9,11,13-15,17,19-21,24,27,30-41,43,45-58H2,1-7H3,(H,115,129)(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/p-4/b12-10-,18-16-,23-22-,26-25-,29-28-,44-42+/t64-,65+,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,79+,80+,81+,82+,83+,84+,85+,86-,87-,88+,89+,90+,91+,92+,93+,94+,95-,96+,97+,98+,99+,100+,101-,102+,103-,104+,105-,106-,111+,112+,113-,114-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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](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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph