Ganglioside GD2 (d18:1(4E)/36:5(21Z,24Z,27Z,30Z,33Z))

Properties Image Occurences in reactions MNX_ID MNXM522984 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C96H162N4O34 charge -2 mass 1915.10815 reference slm:000487683 InChIKey FRSAVAOKPHGWLO-OXPZPWTGSA-L InChI InChI=1S/C96H164N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-74(113)100-65(66(109)52-50-48-46-44-42-40-19-17-15-13-11-9-7-2)61-125-91-83(119)82(118)85(72(59-104)127-91)129-92-84(120)89(86(73(60-105)128-92)130-90-77(99-64(5)108)81(117)79(115)70(57-102)126-90)134-96(94(123)124)55-68(111)76(98-63(4)107)88(133-96)80(116)71(58-103)131-95(93(121)122)54-67(110)75(97-62(3)106)87(132-95)78(114)69(112)56-101/h8,10,14,16,20-21,23-24,26-27,50,52,65-73,75-92,101-105,109-112,114-120H,6-7,9,11-13,15,17-19,22,25,28-49,51,53-61H2,1-5H3,(H,97,106)(H,98,107)(H,99,108)(H,100,113)(H,121,122)(H,123,124)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,52-50+/t65-,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-,95+,96-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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