Ganglioside GD2 (d18:1(4E)/26:6(8Z,11Z,14Z,17Z,20Z,23Z))

Properties Image Occurences in reactions MNX_ID MNXM522962 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C86H140N4O34 charge -2 mass 1772.93599 reference slm:000487699 InChIKey DXMNTVCDMRNMMN-YOBKRRMVSA-L InChI InChI=1S/C86H142N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(103)90-55(56(99)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-115-81-73(109)72(108)75(62(49-94)117-81)119-82-74(110)79(76(63(50-95)118-82)120-80-67(89-54(5)98)71(107)69(105)60(47-92)116-80)124-86(84(113)114)45-58(101)66(88-53(4)97)78(123-86)70(106)61(48-93)121-85(83(111)112)44-57(100)65(87-52(3)96)77(122-85)68(104)59(102)46-91/h8,10,14,16,20-21,23-24,26-27,29,31,40,42,55-63,65-82,91-95,99-102,104-110H,6-7,9,11-13,15,17-19,22,25,28,30,32-39,41,43-51H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,103)(H,111,112)(H,113,114)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,31-29-,42-40+/t55-,56+,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76-,77+,78+,79+,80-,81+,82-,85+,86-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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]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