Ganglioside GT1a alpha (d18:1(4E)/23:0)

Properties Image Occurences in reactions MNX_ID MNXM525179 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C100H172N5O47 charge -3 mass 2195.12391 reference slm:000485980 InChIKey HDKQRSCXHCPAEH-GCNRWVJRSA-K InChI InChI=1S/C100H175N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-69(123)105-57(58(116)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)51-139-92-80(130)79(129)83(66(49-110)142-92)145-94-82(132)90(152-100(97(137)138)44-61(119)72(103-55(5)114)88(150-100)76(126)64(122)47-108)84(67(50-111)143-94)146-91-73(104-56(6)115)85(78(128)68(144-91)52-140-98(95(133)134)42-59(117)70(101-53(3)112)86(148-98)74(124)62(120)45-106)147-93-81(131)89(77(127)65(48-109)141-93)151-99(96(135)136)43-60(118)71(102-54(4)113)87(149-99)75(125)63(121)46-107/h38,40,57-68,70-94,106-111,116-122,124-132H,7-37,39,41-52H2,1-6H3,(H,101,112)(H,102,113)(H,103,114)(H,104,115)(H,105,123)(H,133,134)(H,135,136)(H,137,138)/p-3/b40-38+/t57-,58+,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79+,80+,81+,82+,83+,84-,85+,86+,87+,88+,89-,90+,91-,92+,93-,94-,98+,99-,100-/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)CCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph