Ganglioside GT1a alpha (d18:1(4E)/8:0)

Properties Image Occurences in reactions MNX_ID MNXM525221 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C85H142N5O47 charge -3 mass 1984.88916 reference slm:000485974 InChIKey VNFLAYLNIJXYQX-STELSWAVSA-K InChI InChI=1S/C85H145N5O47/c1-7-9-11-13-14-15-16-17-18-19-20-22-23-25-43(101)42(90-54(108)26-24-21-12-10-8-2)36-124-77-65(115)64(114)68(51(34-95)127-77)130-79-67(117)75(137-85(82(122)123)29-46(104)57(88-40(5)99)73(135-85)61(111)49(107)32-93)69(52(35-96)128-79)131-76-58(89-41(6)100)70(63(113)53(129-76)37-125-83(80(118)119)27-44(102)55(86-38(3)97)71(133-83)59(109)47(105)30-91)132-78-66(116)74(62(112)50(33-94)126-78)136-84(81(120)121)28-45(103)56(87-39(4)98)72(134-84)60(110)48(106)31-92/h23,25,42-53,55-79,91-96,101-107,109-117H,7-22,24,26-37H2,1-6H3,(H,86,97)(H,87,98)(H,88,99)(H,89,100)(H,90,108)(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@]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@]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)CCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph