Ganglioside GT3 (d18:1(4E)/30:6(12Z,15Z,18Z,21Z,24Z,27Z))

Properties Image Occurences in reactions MNX_ID MNXM525659 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H151N4O37 charge -3 mass 1916.00736 reference slm:000487098 InChIKey PDBRXNWYRNAODF-FAMAJRARSA-K InChI InChI=1S/C93H154N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-70(111)97-60(61(106)46-44-42-40-38-36-34-19-17-15-13-11-9-7-2)56-125-86-79(117)78(116)81(69(55-102)127-86)128-87-80(118)85(75(113)66(52-99)126-87)134-93(90(123)124)50-64(109)73(96-59(5)105)84(133-93)77(115)68(54-101)130-92(89(121)122)49-63(108)72(95-58(4)104)83(132-92)76(114)67(53-100)129-91(88(119)120)48-62(107)71(94-57(3)103)82(131-91)74(112)65(110)51-98/h8,10,14,16,20-21,23-24,26-27,29-30,44,46,60-69,71-87,98-102,106-110,112-118H,6-7,9,11-13,15,17-19,22,25,28,31-43,45,47-56H2,1-5H3,(H,94,103)(H,95,104)(H,96,105)(H,97,111)(H,119,120)(H,121,122)(H,123,124)/p-3/b10-8-,16-14-,21-20-,24-23-,27-26-,30-29-,46-44+/t60-,61+,62-,63-,64-,65+,66+,67+,68+,69+,71+,72+,73+,74+,75-,76+,77+,78+,79+,80+,81+,82+,83+,84+,85-,86+,87-,91+,92+,93-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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](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