Ganglioside GD1b (d18:1(4E)/34:5(16Z,19Z,22Z,25Z,28Z))

Properties Image Occurences in reactions MNX_ID MNXM522811 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C100H168N4O39 charge -2 mass 2049.12967 reference slm:000487281 InChIKey HYLXRQDBXUBHOI-QPECVRTNSA-L InChI InChI=1S/C100H170N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-74(118)104-64(65(114)50-48-46-44-42-40-38-19-17-15-13-11-9-7-2)60-132-94-85(126)83(124)87(72(58-109)135-94)137-96-86(127)92(88(73(59-110)136-96)138-93-77(103-63(5)113)89(80(121)70(56-107)133-93)139-95-84(125)82(123)79(120)69(55-106)134-95)143-100(98(130)131)53-67(116)76(102-62(4)112)91(142-100)81(122)71(57-108)140-99(97(128)129)52-66(115)75(101-61(3)111)90(141-99)78(119)68(117)54-105/h14,16,20-21,23-24,26-27,29-30,48,50,64-73,75-96,105-110,114-117,119-127H,6-13,15,17-19,22,25,28,31-47,49,51-60H2,1-5H3,(H,101,111)(H,102,112)(H,103,113)(H,104,118)(H,128,129)(H,130,131)/p-2/b16-14-,21-20-,24-23-,27-26-,30-29-,50-48+/t64-,65+,66-,67-,68+,69+,70+,71+,72+,73+,75+,76+,77+,78+,79-,80-,81+,82-,83+,84+,85+,86+,87+,88-,89+,90+,91+,92+,93-,94+,95-,96-,99+,100-/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@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](O)CO)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