Ganglioside GD2 (d18:1(4E)/22:5(4Z,7Z,10Z,13Z,16Z))

Properties Image Occurences in reactions MNX_ID MNXM522947 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C82H134N4O34 charge -2 mass 1718.88904 reference slm:000487688 InChIKey RDLREURTDWBMFL-KWGQPNPMSA-L InChI InChI=1S/C82H136N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-60(99)86-51(52(95)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-111-77-69(105)68(104)71(58(45-90)113-77)115-78-70(106)75(72(59(46-91)114-78)116-76-63(85-50(5)94)67(103)65(101)56(43-88)112-76)120-82(80(109)110)41-54(97)62(84-49(4)93)74(119-82)66(102)57(44-89)117-81(79(107)108)40-53(96)61(83-48(3)92)73(118-81)64(100)55(98)42-87/h14,16,20-21,23-24,27,29,33,35-36,38,51-59,61-78,87-91,95-98,100-106H,6-13,15,17-19,22,25-26,28,30-32,34,37,39-47H2,1-5H3,(H,83,92)(H,84,93)(H,85,94)(H,86,99)(H,107,108)(H,109,110)/p-2/b16-14-,21-20-,24-23-,29-27-,35-33-,38-36+/t51-,52+,53-,54-,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+,71+,72-,73+,74+,75+,76-,77+,78-,81+,82-/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]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