Ganglioside GT3 (d20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Properties Image Occurences in reactions MNX_ID MNXM1088128 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C87H141N4O37 charge -3 mass 1833.92911 reference slm:000781438 InChIKey CSVJMVWYDJUXIG-VDDHSGGNSA-K InChI InChI=1S/C87H144N4O37/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-64(105)91-54(55(100)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2)50-119-80-73(111)72(110)75(63(49-96)121-80)122-81-74(112)79(69(107)60(46-93)120-81)128-87(84(117)118)44-58(103)67(90-53(5)99)78(127-87)71(109)62(48-95)124-86(83(115)116)43-57(102)66(89-52(4)98)77(126-86)70(108)61(47-94)123-85(82(113)114)42-56(101)65(88-51(3)97)76(125-85)68(106)59(104)45-92/h8,10,14,16,20,22,24-25,29,31,35,37,54-63,65-81,92-96,100-104,106-112H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-50H2,1-5H3,(H,88,97)(H,89,98)(H,90,99)(H,91,105)(H,113,114)(H,115,116)(H,117,118)/p-3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80+,81-,85+,86+,87-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph