Ganglioside GD1b (d18:1(4E)/36:5(18Z,21Z,24Z,27Z,30Z))

Properties Image Occurences in reactions MNX_ID MNXM522815 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C102H172N4O39 charge -2 mass 2077.16097 reference slm:000487286 InChIKey AYPAMAALGHWWMS-IGXRQWMHSA-L InChI InChI=1S/C102H174N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-76(120)106-66(67(116)52-50-48-46-44-42-40-19-17-15-13-11-9-7-2)62-134-96-87(128)85(126)89(74(60-111)137-96)139-98-88(129)94(90(75(61-112)138-98)140-95-79(105-65(5)115)91(82(123)72(58-109)135-95)141-97-86(127)84(125)81(122)71(57-108)136-97)145-102(100(132)133)55-69(118)78(104-64(4)114)93(144-102)83(124)73(59-110)142-101(99(130)131)54-68(117)77(103-63(3)113)92(143-101)80(121)70(119)56-107/h14,16,20-21,23-24,26-27,29-30,50,52,66-75,77-98,107-112,116-119,121-129H,6-13,15,17-19,22,25,28,31-49,51,53-62H2,1-5H3,(H,103,113)(H,104,114)(H,105,115)(H,106,120)(H,130,131)(H,132,133)/p-2/b16-14-,21-20-,24-23-,27-26-,30-29-,52-50+/t66-,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-,101+,102-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=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