Ganglioside GD1a alpha (d18:1(4E)/22:1(13Z))

Properties Image Occurences in reactions MNX_ID MNXM522691 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C88H152N4O39 charge -2 mass 1889.00447 reference slm:000486169 InChIKey IPUKYZWDMHZFGZ-NDJKZZLYSA-L InChI InChI=1S/C88H154N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(106)92-52(53(101)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-120-82-72(113)70(111)76(59(45-96)123-82)127-83-73(114)71(112)75(60(46-97)124-83)126-81-65(91-51(5)100)77(69(110)61(125-81)48-121-87(85(116)117)40-54(102)63(89-49(3)98)78(129-87)66(107)56(104)42-93)128-84-74(115)80(68(109)58(44-95)122-84)131-88(86(118)119)41-55(103)64(90-50(4)99)79(130-88)67(108)57(105)43-94/h20-21,36,38,52-61,63-84,93-97,101-105,107-115H,6-19,22-35,37,39-48H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,106)(H,116,117)(H,118,119)/p-2/b21-20-,38-36+/t52-,53+,54-,55-,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67+,68-,69-,70+,71+,72+,73+,74+,75-,76+,77+,78+,79+,80-,81-,82+,83-,84-,87+,88-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCC(=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@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph