Ganglioside GT2 (d18:1(4E)/28:5(10Z,13Z,16Z,19Z,22Z))

Properties Image Occurences in reactions MNX_ID MNXM525446 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C99H162N5O42 charge -3 mass 2093.07108 reference slm:000487735 InChIKey PLBPOZRBNCGPJO-YJSYOOIRSA-K InChI InChI=1S/C99H165N5O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-72(120)104-61(62(115)45-43-41-39-37-35-33-20-18-16-14-12-10-8-2)56-135-92-83(127)82(126)85(70(54-109)137-92)139-93-84(128)90(86(71(55-110)138-93)140-91-76(103-60(6)114)81(125)78(122)67(51-106)136-91)146-99(96(133)134)49-65(118)75(102-59(5)113)89(145-99)80(124)69(53-108)142-98(95(131)132)48-64(117)74(101-58(4)112)88(144-98)79(123)68(52-107)141-97(94(129)130)47-63(116)73(100-57(3)111)87(143-97)77(121)66(119)50-105/h15,17,21-22,24-25,27-28,30-31,43,45,61-71,73-93,105-110,115-119,121-128H,7-14,16,18-20,23,26,29,32-42,44,46-56H2,1-6H3,(H,100,111)(H,101,112)(H,102,113)(H,103,114)(H,104,120)(H,129,130)(H,131,132)(H,133,134)/p-3/b17-15-,22-21-,25-24-,28-27-,31-30-,45-43+/t61-,62+,63-,64-,65-,66+,67+,68+,69+,70+,71+,73+,74+,75+,76+,77+,78-,79+,80+,81+,82+,83+,84+,85+,86-,87+,88+,89+,90+,91-,92+,93-,97+,98+,99-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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