Ganglioside GD1a alpha (d18:1(4E)/iso15:0)

Properties Image Occurences in reactions MNX_ID MNXM522742 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C81H140N4O39 charge -2 mass 1792.91057 reference slm:000486165 InChIKey KZFZZCHOMVRRDY-ALAFUNIQSA-L InChI InChI=1S/C81H142N4O39/c1-7-8-9-10-11-12-13-14-15-18-21-24-27-30-46(94)45(85-55(99)31-28-25-22-19-16-17-20-23-26-29-41(2)3)39-113-75-65(106)63(104)69(52(37-89)116-75)120-76-66(107)64(105)68(53(38-90)117-76)119-74-58(84-44(6)93)70(62(103)54(118-74)40-114-80(78(109)110)32-47(95)56(82-42(4)91)71(122-80)59(100)49(97)34-86)121-77-67(108)73(61(102)51(36-88)115-77)124-81(79(111)112)33-48(96)57(83-43(5)92)72(123-81)60(101)50(98)35-87/h27,30,41,45-54,56-77,86-90,94-98,100-108H,7-26,28-29,31-40H2,1-6H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,109,110)(H,111,112)/p-2/b30-27+/t45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,56+,57+,58+,59+,60+,61-,62-,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73-,74-,75+,76-,77-,80+,81-/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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC(C)C

Parent-child relations graph

Deprecated MNXref IDs graph