Ganglioside SM1b (d20:0/22:5(4Z,7Z,10Z,13Z,16Z))

Properties Image Occurences in reactions MNX_ID MNXM1067784 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C68H117N2O26S charge -1 mass 1409.76208 reference slm:000760893 InChIKey PPULOKMKBVQGCJ-GFFGJXKISA-M InChI InChI=1S/C68H118N2O26S/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2)44-88-66-58(82)56(80)62(50(42-73)91-66)94-67-59(83)57(81)61(51(43-74)92-67)93-65-53(69-45(3)75)63(54(78)48(40-71)89-65)95-68-60(84)64(96-97(85,86)87)55(79)49(41-72)90-68/h12,14,18,20,22-23,27,29,33,35,46-51,53-68,71-74,76,78-84H,4-11,13,15-17,19,21,24-26,28,30-32,34,36-44H2,1-3H3,(H,69,75)(H,70,77)(H,85,86,87)/p-1/b14-12-,20-18-,23-22-,29-27-,35-33-/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59+,60+,61-,62+,63+,64-,65-,66+,67-,68-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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](OS(=O)(=O)[O-])[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph