Ganglioside GD1a alpha (d18:1(4E)/32:5(14Z,17Z,20Z,23Z,26Z))

Properties Image Occurences in reactions MNX_ID MNXM522723 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C98H164N4O39 charge -2 mass 2021.09837 reference slm:000486171 InChIKey XYSCPUZDLLERCA-ZYFHMQJCSA-L InChI InChI=1S/C98H166N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-72(116)102-62(63(111)48-46-44-42-40-38-36-19-17-15-13-11-9-7-2)57-130-92-82(123)80(121)86(69(55-106)133-92)137-93-83(124)81(122)85(70(56-107)134-93)136-91-75(101-61(5)110)87(79(120)71(135-91)58-131-97(95(126)127)50-64(112)73(99-59(3)108)88(139-97)76(117)66(114)52-103)138-94-84(125)90(78(119)68(54-105)132-94)141-98(96(128)129)51-65(113)74(100-60(4)109)89(140-98)77(118)67(115)53-104/h14,16,20-21,23-24,26-27,29-30,46,48,62-71,73-94,103-107,111-115,117-125H,6-13,15,17-19,22,25,28,31-45,47,49-58H2,1-5H3,(H,99,108)(H,100,109)(H,101,110)(H,102,116)(H,126,127)(H,128,129)/p-2/b16-14-,21-20-,24-23-,27-26-,30-29-,48-46+/t62-,63+,64-,65-,66+,67+,68+,69+,70+,71+,73+,74+,75+,76+,77+,78-,79-,80+,81+,82+,83+,84+,85-,86+,87+,88+,89+,90-,91-,92+,93-,94-,97+,98-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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@]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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph