Ganglioside GalGalNAc-GM1b(NeuGc) (d20:1(4E)/20:4(5Z,8Z,11Z,14Z))

Properties Image Occurences in reactions MNX_ID MNXM1081819 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C91H153N4O42 charge -1 mass 1973.99649 reference slm:000775078 InChIKey PJRUMGUQUYHBHC-DOIMOYIUSA-M InChI InChI=1S/C91H154N4O42/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-61(109)94-51(52(106)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2)48-124-86-74(119)71(116)78(58(44-100)128-86)132-88-75(120)72(117)77(59(45-101)129-88)131-84-64(92-49(3)104)81(69(114)56(42-98)125-84)135-89-76(121)83(137-91(90(122)123)39-53(107)63(95-62(110)47-103)82(136-91)66(111)54(108)40-96)79(60(46-102)130-89)133-85-65(93-50(4)105)80(68(113)57(43-99)126-85)134-87-73(118)70(115)67(112)55(41-97)127-87/h13,15,19,21,24,26,30,32,35,37,51-60,63-89,96-103,106-108,111-121H,5-12,14,16-18,20,22-23,25,27-29,31,33-34,36,38-48H2,1-4H3,(H,92,104)(H,93,105)(H,94,109)(H,95,110)(H,122,123)/p-1/b15-13-,21-19-,26-24-,32-30-,37-35+/t51-,52+,53-,54+,55+,56+,57+,58+,59+,60+,63+,64+,65+,66+,67-,68-,69-,70-,71+,72+,73+,74+,75+,76+,77-,78+,79-,80+,81+,82+,83+,84-,85-,86+,87-,88-,89-,91-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[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/CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph