Ganglioside GT1c (d18:1(4E)/30:6(12Z,15Z,18Z,21Z,24Z,27Z))

Properties Image Occurences in reactions MNX_ID MNXM525370 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C107H174N5O47 charge -3 mass 2281.13956 reference slm:000487352 InChIKey UDPBUYZKKKRROD-TYEYTSDMSA-K InChI InChI=1S/C107H177N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-76(129)112-64(65(124)47-45-43-41-39-37-35-20-18-16-14-12-10-8-2)59-146-99-89(138)87(136)91(74(57-118)149-99)151-101-90(139)97(92(75(58-119)150-101)152-98-80(111-63(6)123)93(83(132)71(54-115)147-98)153-100-88(137)86(135)82(131)70(53-114)148-100)159-107(104(144)145)51-68(127)79(110-62(5)122)96(158-107)85(134)73(56-117)155-106(103(142)143)50-67(126)78(109-61(4)121)95(157-106)84(133)72(55-116)154-105(102(140)141)49-66(125)77(108-60(3)120)94(156-105)81(130)69(128)52-113/h9,11,15,17,21-22,24-25,27-28,30-31,45,47,64-75,77-101,113-119,124-128,130-139H,7-8,10,12-14,16,18-20,23,26,29,32-44,46,48-59H2,1-6H3,(H,108,120)(H,109,121)(H,110,122)(H,111,123)(H,112,129)(H,140,141)(H,142,143)(H,144,145)/p-3/b11-9-,17-15-,22-21-,25-24-,28-27-,31-30-,47-45+/t64-,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,77+,78+,79+,80+,81+,82-,83-,84+,85+,86-,87+,88+,89+,90+,91+,92-,93+,94+,95+,96+,97+,98-,99+,100-,101-,105+,106+,107-/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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[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](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