Ganglioside GD2 (d18:1(4E)/28:0)

Properties Image Occurences in reactions MNX_ID MNXM522963 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C88H156N4O34 charge -2 mass 1813.0612 reference slm:000487724 InChIKey UGPOMYBGHGWHHH-GKXDSDSGSA-L InChI InChI=1S/C88H158N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-66(105)92-57(58(101)44-42-40-38-36-34-32-19-17-15-13-11-9-7-2)53-117-83-75(111)74(110)77(64(51-96)119-83)121-84-76(112)81(78(65(52-97)120-84)122-82-69(91-56(5)100)73(109)71(107)62(49-94)118-82)126-88(86(115)116)47-60(103)68(90-55(4)99)80(125-88)72(108)63(50-95)123-87(85(113)114)46-59(102)67(89-54(3)98)79(124-87)70(106)61(104)48-93/h42,44,57-65,67-84,93-97,101-104,106-112H,6-41,43,45-53H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,105)(H,113,114)(H,115,116)/p-2/b44-42+/t57-,58+,59-,60-,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77+,78-,79+,80+,81+,82-,83+,84-,87+,88-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[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]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)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph