Ganglioside GQ1b (d18:1(4E)/2:0)

Properties Image Occurences in reactions MNX_ID MNXM524729 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H146N6O55 charge -4 mass 2190.8834 reference slm:000486810 InChIKey UXHLQOMYRUORMZ-JRESZHSQSA-J InChI InChI=1S/C90H150N6O55/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(111)41(91-35(2)105)34-136-80-67(125)66(124)70(53(32-103)139-80)141-82-69(127)78(151-90(86(134)135)25-46(115)58(95-39(6)109)76(149-90)65(123)52(31-102)145-88(84(130)131)23-44(113)56(93-37(4)107)74(147-88)61(119)48(117)27-98)71(54(33-104)140-82)142-79-59(96-40(7)110)72(62(120)49(28-99)137-79)143-81-68(126)77(63(121)50(29-100)138-81)150-89(85(132)133)24-45(114)57(94-38(5)108)75(148-89)64(122)51(30-101)144-87(83(128)129)22-43(112)55(92-36(3)106)73(146-87)60(118)47(116)26-97/h20-21,41-82,97-104,111-127H,8-19,22-34H2,1-7H3,(H,91,105)(H,92,106)(H,93,107)(H,94,108)(H,95,109)(H,96,110)(H,128,129)(H,130,131)(H,132,133)(H,134,135)/p-4/b21-20+/t41-,42+,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62-,63-,64+,65+,66+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76+,77-,78+,79-,80+,81-,82-,87+,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@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](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)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(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph