Ganglioside GQ1b alpha (d18:1(4E)/8:0)

Properties Image Occurences in reactions MNX_ID MNXM524837 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C96H158N6O55 charge -4 mass 2274.9773 reference slm:000485986 InChIKey XSQVCZQKLQIBPY-RGZKLYMVSA-J InChI InChI=1S/C96H162N6O55/c1-8-10-12-14-15-16-17-18-19-20-21-23-24-26-47(115)46(102-60(123)27-25-22-13-11-9-2)39-142-86-73(131)72(130)76(57(37-108)145-86)148-88-75(133)84(157-96(92(140)141)31-51(119)64(100-44(6)113)82(155-96)70(128)56(36-107)151-94(90(136)137)29-49(117)62(98-42(4)111)80(153-94)67(125)53(121)33-104)77(58(38-109)146-88)149-85-65(101-45(7)114)78(71(129)59(147-85)40-143-93(89(134)135)28-48(116)61(97-41(3)110)79(152-93)66(124)52(120)32-103)150-87-74(132)83(69(127)55(35-106)144-87)156-95(91(138)139)30-50(118)63(99-43(5)112)81(154-95)68(126)54(122)34-105/h24,26,46-59,61-88,103-109,115-122,124-133H,8-23,25,27-40H2,1-7H3,(H,97,110)(H,98,111)(H,99,112)(H,100,113)(H,101,114)(H,102,123)(H,134,135)(H,136,137)(H,138,139)(H,140,141)/p-4/b26-24+/t46-,47+,48-,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,59+,61+,62+,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-,93+,94+,95-,96-/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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph