Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0)

Properties Image Occurences in reactions MNX_ID MNXM27871 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C91H163N3O40 charge 0 mass 1938.08129 reference lipidmapsM:LMSP0601CY05 InChIKey YTZZZNPFRAKHIO-JKBUSLRFSA-N InChI InChI=1S/C91H163N3O40/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-62(106)94-53(54(103)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-121-85-75(117)72(114)77(60(47-99)126-85)128-88-76(118)82(134-91(90(119)120)42-55(104)63(92-51(4)101)80(133-91)66(108)56(105)43-95)78(61(48-100)127-88)129-84-64(93-52(5)102)79(68(110)58(45-97)123-84)130-89-83(132-86-73(115)70(112)65(107)50(3)122-86)81(69(111)59(46-98)125-89)131-87-74(116)71(113)67(109)57(44-96)124-87/h38,40,50,53-61,63-89,95-100,103-105,107-118H,6-37,39,41-49H2,1-5H3,(H,92,101)(H,93,102)(H,94,106)(H,119,120)/b40-38+/t50?,53-,54+,55?,56+,57?,58?,59?,60?,61?,63+,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-,89-,91-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O)C5O)C4O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)[C@H](O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph