Ganglioside GD1a (d18:1(4E)/14:1(9Z))

Properties Image Occurences in reactions MNX_ID MNXM522580 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C80H136N4O39 charge -2 mass 1776.87927 reference slm:000486299 InChIKey RZLSDRJFKGNXDB-PGMAQBOLSA-L InChI InChI=1S/C80H138N4O39/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-45(94)44(84-54(99)31-29-27-25-23-20-17-15-13-11-9-7-2)40-112-74-63(105)62(104)66(52(38-89)115-74)117-76-65(107)72(123-80(78(110)111)33-47(96)56(82-42(4)92)70(121-80)59(101)49(98)35-86)67(53(39-90)116-76)118-73-57(83-43(5)93)68(60(102)50(36-87)113-73)119-75-64(106)71(61(103)51(37-88)114-75)122-79(77(108)109)32-46(95)55(81-41(3)91)69(120-79)58(100)48(97)34-85/h13,15,28,30,44-53,55-76,85-90,94-98,100-107H,6-12,14,16-27,29,31-40H2,1-5H3,(H,81,91)(H,82,92)(H,83,93)(H,84,99)(H,108,109)(H,110,111)/p-2/b15-13-,30-28+/t44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71-,72+,73-,74+,75-,76-,79-,80-/m0/s1 SMILES CCCC/C=C\CCCCCCCC(=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@]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