Ganglioside GT1c (d18:1(4E)/8:0)

Properties Image Occurences in reactions MNX_ID MNXM525389 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C85H142N5O47 charge -3 mass 1984.88916 reference slm:000487418 InChIKey ZGRMJSJGLQEPST-PYLVYKOXSA-K InChI InChI=1S/C85H145N5O47/c1-7-9-11-13-14-15-16-17-18-19-20-22-23-25-43(102)42(90-54(107)26-24-21-12-10-8-2)37-124-77-67(116)65(114)69(52(35-96)127-77)129-79-68(117)75(70(53(36-97)128-79)130-76-58(89-41(6)101)71(61(110)49(32-93)125-76)131-78-66(115)64(113)60(109)48(31-92)126-78)137-85(82(122)123)29-46(105)57(88-40(5)100)74(136-85)63(112)51(34-95)133-84(81(120)121)28-45(104)56(87-39(4)99)73(135-84)62(111)50(33-94)132-83(80(118)119)27-44(103)55(86-38(3)98)72(134-83)59(108)47(106)30-91/h23,25,42-53,55-79,91-97,102-106,108-117H,7-22,24,26-37H2,1-6H3,(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,107)(H,118,119)(H,120,121)(H,122,123)/p-3/b25-23+/t42-,43+,44-,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-,77+,78-,79-,83+,84+,85-/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@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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)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)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph