Ganglioside GD1a (d18:1(4E)/30:6(12Z,15Z,18Z,21Z,24Z,27Z))

Properties Image Occurences in reactions MNX_ID MNXM522637 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C96H158N4O39 charge -2 mass 1991.05142 reference slm:000486248 InChIKey IWKIPAQILVAOLG-MKWYPMPQSA-L InChI InChI=1S/C96H160N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-70(115)100-60(61(110)46-44-42-40-38-36-34-19-17-15-13-11-9-7-2)56-128-90-79(121)78(120)82(68(54-105)131-90)133-92-81(123)88(139-96(94(126)127)49-63(112)72(98-58(4)108)86(137-96)75(117)65(114)51-102)83(69(55-106)132-92)134-89-73(99-59(5)109)84(76(118)66(52-103)129-89)135-91-80(122)87(77(119)67(53-104)130-91)138-95(93(124)125)48-62(111)71(97-57(3)107)85(136-95)74(116)64(113)50-101/h8,10,14,16,20-21,23-24,26-27,29-30,44,46,60-69,71-92,101-106,110-114,116-123H,6-7,9,11-13,15,17-19,22,25,28,31-43,45,47-56H2,1-5H3,(H,97,107)(H,98,108)(H,99,109)(H,100,115)(H,124,125)(H,126,127)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,30-29-,46-44+/t60-,61+,62-,63-,64+,65+,66+,67+,68+,69+,71+,72+,73+,74+,75+,76-,77-,78+,79+,80+,81+,82+,83-,84+,85+,86+,87-,88+,89-,90+,91-,92-,95-,96-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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