Ganglioside GT1a alpha (d18:1(4E)/13:0)

Properties Image Occurences in reactions MNX_ID MNXM525143 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H152N5O47 charge -3 mass 2054.96741 reference slm:000485981 InChIKey HAALGNWQZJDRQK-LSJNSJQESA-K InChI InChI=1S/C90H155N5O47/c1-7-9-11-13-15-17-19-20-21-22-24-26-28-30-48(106)47(95-59(113)31-29-27-25-23-18-16-14-12-10-8-2)41-129-82-70(120)69(119)73(56(39-100)132-82)135-84-72(122)80(142-90(87(127)128)34-51(109)62(93-45(5)104)78(140-90)66(116)54(112)37-98)74(57(40-101)133-84)136-81-63(94-46(6)105)75(68(118)58(134-81)42-130-88(85(123)124)32-49(107)60(91-43(3)102)76(138-88)64(114)52(110)35-96)137-83-71(121)79(67(117)55(38-99)131-83)141-89(86(125)126)33-50(108)61(92-44(4)103)77(139-89)65(115)53(111)36-97/h28,30,47-58,60-84,96-101,106-112,114-122H,7-27,29,31-42H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,105)(H,95,113)(H,123,124)(H,125,126)(H,127,128)/p-3/b30-28+/t47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,60+,61+,62+,63+,64+,65+,66+,67-,68-,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79-,80+,81-,82+,83-,84-,88+,89-,90-/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@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph