Ganglioside GD1a alpha (d18:1(4E)/20:1(11Z))

Properties Image Occurences in reactions MNX_ID MNXM522682 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C86H148N4O39 charge -2 mass 1860.97317 reference slm:000486161 InChIKey JRKCSCNDVSGIBA-AYKFQBODSA-L InChI InChI=1S/C86H150N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-70(111)68(109)74(57(43-94)121-80)125-81-71(112)69(110)73(58(44-95)122-81)124-79-63(89-49(5)98)75(67(108)59(123-79)46-119-85(83(114)115)38-52(100)61(87-47(3)96)76(127-85)64(105)54(102)40-91)126-82-72(113)78(66(107)56(42-93)120-82)129-86(84(116)117)39-53(101)62(88-48(4)97)77(128-86)65(106)55(103)41-92/h20-21,34,36,50-59,61-82,91-95,99-103,105-113H,6-19,22-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,114,115)(H,116,117)/p-2/b21-20-,36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73-,74+,75+,76+,77+,78-,79-,80+,81-,82-,85+,86-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCC(=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