Ganglioside GT1a alpha (d18:1(4E)/34:5(16Z,19Z,22Z,25Z,28Z))

Properties Image Occurences in reactions MNX_ID MNXM525208 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C111H184N5O47 charge -3 mass 2339.21781 reference slm:000485922 InChIKey WBPKTPOSJPCSHN-RHCLLLNISA-K InChI InChI=1S/C111H187N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-80(134)116-68(69(127)51-49-47-45-43-41-39-20-18-16-14-12-10-8-2)62-150-103-91(141)90(140)94(77(60-121)153-103)156-105-93(143)101(163-111(108(148)149)55-72(130)83(114-66(5)125)99(161-111)87(137)75(133)58-119)95(78(61-122)154-105)157-102-84(115-67(6)126)96(89(139)79(155-102)63-151-109(106(144)145)53-70(128)81(112-64(3)123)97(159-109)85(135)73(131)56-117)158-104-92(142)100(88(138)76(59-120)152-104)162-110(107(146)147)54-71(129)82(113-65(4)124)98(160-110)86(136)74(132)57-118/h15,17,21-22,24-25,27-28,30-31,49,51,68-79,81-105,117-122,127-133,135-143H,7-14,16,18-20,23,26,29,32-48,50,52-63H2,1-6H3,(H,112,123)(H,113,124)(H,114,125)(H,115,126)(H,116,134)(H,144,145)(H,146,147)(H,148,149)/p-3/b17-15-,22-21-,25-24-,28-27-,31-30-,51-49+/t68-,69+,70-,71-,72-,73+,74+,75+,76+,77+,78+,79+,81+,82+,83+,84+,85+,86+,87+,88-,89-,90+,91+,92+,93+,94+,95-,96+,97+,98+,99+,100-,101+,102-,103+,104-,105-,109+,110-,111-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=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