Ganglioside GT1a alpha (d18:1(4E)/24:6(6Z,9Z,12Z,15Z,18Z,21Z))

Properties Image Occurences in reactions MNX_ID MNXM525185 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C101H162N5O47 charge -3 mass 2197.04566 reference slm:000485939 InChIKey ZTEFWYIIEAXOFQ-OVKDGQFXSA-K InChI InChI=1S/C101H165N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(124)106-58(59(117)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)52-140-93-81(131)80(130)84(67(50-111)143-93)146-95-83(133)91(153-101(98(138)139)45-62(120)73(104-56(5)115)89(151-101)77(127)65(123)48-109)85(68(51-112)144-95)147-92-74(105-57(6)116)86(79(129)69(145-92)53-141-99(96(134)135)43-60(118)71(102-54(3)113)87(149-99)75(125)63(121)46-107)148-94-82(132)90(78(128)66(49-110)142-94)152-100(97(136)137)44-61(119)72(103-55(4)114)88(150-100)76(126)64(122)47-108/h9,11,15,17,21-22,24-25,27-28,32,34,39,41,58-69,71-95,107-112,117-123,125-133H,7-8,10,12-14,16,18-20,23,26,29-31,33,35-38,40,42-53H2,1-6H3,(H,102,113)(H,103,114)(H,104,115)(H,105,116)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/p-3/b11-9-,17-15-,22-21-,25-24-,28-27-,34-32-,41-39+/t58-,59+,60-,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+,88+,89+,90-,91+,92-,93+,94-,95-,99+,100-,101-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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@]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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph