Ganglioside GT2 (d18:1(4E)/20:1(11Z))

Properties Image Occurences in reactions MNX_ID MNXM525415 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C91H154N5O42 charge -3 mass 1989.00848 reference slm:000487743 InChIKey HDUPYIRYHTWTMS-NSRFVLMISA-K InChI InChI=1S/C91H157N5O42/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-64(112)96-53(54(107)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)48-127-84-75(119)74(118)77(62(46-101)129-84)131-85-76(120)82(78(63(47-102)130-85)132-83-68(95-52(6)106)73(117)70(114)59(43-98)128-83)138-91(88(125)126)41-57(110)67(94-51(5)105)81(137-91)72(116)61(45-100)134-90(87(123)124)40-56(109)66(93-50(4)104)80(136-90)71(115)60(44-99)133-89(86(121)122)39-55(108)65(92-49(3)103)79(135-89)69(113)58(111)42-97/h21-22,35,37,53-63,65-85,97-102,107-111,113-120H,7-20,23-34,36,38-48H2,1-6H3,(H,92,103)(H,93,104)(H,94,105)(H,95,106)(H,96,112)(H,121,122)(H,123,124)(H,125,126)/p-3/b22-21-,37-35+/t53-,54+,55-,56-,57-,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+,76+,77+,78-,79+,80+,81+,82+,83-,84+,85-,89+,90+,91-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCC(=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](CO)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)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