Ganglioside GD1b (d18:1(4E)/16:1(9Z))

Properties Image Occurences in reactions MNX_ID MNXM522752 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C82H140N4O39 charge -2 mass 1804.91057 reference slm:000487316 InChIKey BRRFFRSBCUZBTK-WEMRMHAUSA-L InChI InChI=1S/C82H142N4O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(96)46(86-56(100)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-114-76-67(108)65(106)69(54(40-91)117-76)119-78-68(109)74(70(55(41-92)118-78)120-75-59(85-45(5)95)71(62(103)52(38-89)115-75)121-77-66(107)64(105)61(102)51(37-88)116-77)125-82(80(112)113)35-49(98)58(84-44(4)94)73(124-82)63(104)53(39-90)122-81(79(110)111)34-48(97)57(83-43(3)93)72(123-81)60(101)50(99)36-87/h17,19,30,32,46-55,57-78,87-92,96-99,101-109H,6-16,18,20-29,31,33-42H2,1-5H3,(H,83,93)(H,84,94)(H,85,95)(H,86,100)(H,110,111)(H,112,113)/p-2/b19-17-,32-30+/t46-,47+,48-,49-,50+,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62-,63+,64-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75-,76+,77-,78-,81+,82-/m0/s1 SMILES CCCCCC/C=C\CCCCCCCC(=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](O)[C@H]4O)[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