Ganglioside GT1c (d18:1(4E)/17:0)

Properties Image Occurences in reactions MNX_ID MNXM525319 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C94H160N5O47 charge -3 mass 2111.03001 reference slm:000487411 InChIKey NBBPESJFPDLQOJ-XOILMKIHSA-K InChI InChI=1S/C94H163N5O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-63(116)99-51(52(111)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)46-133-86-76(125)74(123)78(61(44-105)136-86)138-88-77(126)84(79(62(45-106)137-88)139-85-67(98-50(6)110)80(70(119)58(41-102)134-85)140-87-75(124)73(122)69(118)57(40-101)135-87)146-94(91(131)132)38-55(114)66(97-49(5)109)83(145-94)72(121)60(43-104)142-93(90(129)130)37-54(113)65(96-48(4)108)82(144-93)71(120)59(42-103)141-92(89(127)128)36-53(112)64(95-47(3)107)81(143-92)68(117)56(115)39-100/h32,34,51-62,64-88,100-106,111-115,117-126H,7-31,33,35-46H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H,99,116)(H,127,128)(H,129,130)(H,131,132)/p-3/b34-32+/t51-,52+,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,64+,65+,66+,67+,68+,69-,70-,71+,72+,73-,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84+,85-,86+,87-,88-,92+,93+,94-/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)CCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph