Ganglioside GT1b (d18:1(4E)/32:6(14Z,17Z,20Z,23Z,26Z,29Z))

Properties Image Occurences in reactions MNX_ID MNXM525290 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C109H178N5O47 charge -3 mass 2309.17086 reference slm:000486340 InChIKey SHDUYCNGSUMKRV-CUWQUWSCSA-K InChI InChI=1S/C109H181N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-78(132)114-66(67(126)49-47-45-43-41-39-37-20-18-16-14-12-10-8-2)61-148-101-89(139)88(138)92(76(59-120)151-101)153-103-91(141)99(161-109(106(146)147)53-70(129)81(112-64(5)124)97(159-109)87(137)75(58-119)156-107(104(142)143)51-68(127)79(110-62(3)122)95(157-107)83(133)71(130)54-115)93(77(60-121)152-103)154-100-82(113-65(6)125)94(85(135)73(56-117)149-100)155-102-90(140)98(86(136)74(57-118)150-102)160-108(105(144)145)52-69(128)80(111-63(4)123)96(158-108)84(134)72(131)55-116/h9,11,15,17,21-22,24-25,27-28,30-31,47,49,66-77,79-103,115-121,126-131,133-141H,7-8,10,12-14,16,18-20,23,26,29,32-46,48,50-61H2,1-6H3,(H,110,122)(H,111,123)(H,112,124)(H,113,125)(H,114,132)(H,142,143)(H,144,145)(H,146,147)/p-3/b11-9-,17-15-,22-21-,25-24-,28-27-,31-30-,49-47+/t66-,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-,107+,108-,109-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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](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