Ganglioside GQ1b alpha (d18:1(4E)/22:3(10Z,13Z,16Z))

Properties Image Occurences in reactions MNX_ID MNXM524790 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C110H180N6O55 charge -4 mass 2465.14945 reference slm:000486026 InChIKey IYEPXMGEZXGTKA-YCXIBNGYSA-J InChI InChI=1S/C110H184N6O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-74(137)116-60(61(129)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)53-156-100-87(145)86(144)90(71(51-122)159-100)162-102-89(147)98(171-110(106(154)155)45-65(133)78(114-58(6)127)96(169-110)84(142)70(50-121)165-108(104(150)151)43-63(131)76(112-56(4)125)94(167-108)81(139)67(135)47-118)91(72(52-123)160-102)163-99-79(115-59(7)128)92(85(143)73(161-99)54-157-107(103(148)149)42-62(130)75(111-55(3)124)93(166-107)80(138)66(134)46-117)164-101-88(146)97(83(141)69(49-120)158-101)170-109(105(152)153)44-64(132)77(113-57(5)126)95(168-109)82(140)68(136)48-119/h16,18,22-23,25-26,38,40,60-73,75-102,117-123,129-136,138-147H,8-15,17,19-21,24,27-37,39,41-54H2,1-7H3,(H,111,124)(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,137)(H,148,149)(H,150,151)(H,152,153)(H,154,155)/p-4/b18-16-,23-22-,26-25-,40-38+/t60-,61+,62-,63-,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85-,86+,87+,88+,89+,90+,91-,92+,93+,94+,95+,96+,97-,98+,99-,100+,101-,102-,107+,108+,109-,110-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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