Galbeta1-3(NeuAcalpha2-8NeuAcalpha2-6)GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM24615 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H158N4O39 charge 0 mass 1919.05032 reference lipidmapsM:LMSP0601GM07 InChIKey HKHCRSJYMHQUBM-SHZHDNJJSA-N InChI InChI=1S/C90H158N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(107)94-54(55(103)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-122-84-76(116)73(113)79(61(47-98)125-84)129-86-77(117)74(114)78(62(48-99)126-86)128-83-67(93-53(5)102)80(130-85-75(115)72(112)69(109)59(45-96)124-85)71(111)63(127-83)50-123-89(87(118)119)42-56(104)66(92-52(4)101)82(132-89)70(110)60(46-97)131-90(88(120)121)43-57(105)65(91-51(3)100)81(133-90)68(108)58(106)44-95/h20-21,38,40,54-63,65-86,95-99,103-106,108-117H,6-19,22-37,39,41-50H2,1-5H3,(H,91,100)(H,92,101)(H,93,102)(H,94,107)(H,118,119)(H,120,121)/b21-20-,40-38+/t54-,55+,56?,57?,58+,59?,60+,61?,62?,63?,65+,66+,67?,68+,69-,70+,71-,72-,73+,74+,75?,76?,77?,78-,79+,80+,81?,82?,83-,84+,85-,86-,89+,90+/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)O4)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)C3NC(C)=O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph