Ganglioside GT1a (d18:1(4E)/15:0)

Properties Image Occurences in reactions MNX_ID MNXM525062 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C92H156N5O47 charge -3 mass 2082.99871 reference slm:000486740 InChIKey FWWSRZJGXHQRFW-DXCOAWPRSA-K InChI InChI=1S/C92H159N5O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-50(109)49(97-61(115)33-31-29-27-25-23-20-18-16-14-12-10-8-2)44-131-84-72(122)71(121)75(59(42-103)134-84)136-86-74(124)82(144-92(89(129)130)36-52(111)63(94-46(4)106)79(141-92)67(117)55(114)38-99)76(60(43-104)135-86)137-83-65(96-48(6)108)77(68(118)56(39-100)132-83)138-85-73(123)81(69(119)57(40-101)133-85)143-91(88(127)128)35-53(112)64(95-47(5)107)80(142-91)70(120)58(41-102)139-90(87(125)126)34-51(110)62(93-45(3)105)78(140-90)66(116)54(113)37-98/h30,32,49-60,62-86,98-104,109-114,116-124H,7-29,31,33-44H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,108)(H,97,115)(H,125,126)(H,127,128)(H,129,130)/p-3/b32-30+/t49-,50+,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,62+,63+,64+,65+,66+,67+,68-,69-,70+,71+,72+,73+,74+,75+,76-,77+,78+,79+,80+,81-,82+,83-,84+,85-,86-,90+,91-,92-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[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](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)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)NC(=O)CCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph