NeuAcalpha2-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM22948 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H164N4O40 charge 0 mass 1977.09219 reference lipidmapsM:LMSP0601DM07 InChIKey FAIBVKOTPGWNFA-ZYQVEYDNSA-N InChI InChI=1S/C93H164N4O40/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-64(109)97-55(56(106)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)49-124-88-77(119)75(117)80(61(47-101)130-88)132-90-78(120)84(72(114)63(131-90)50-125-86-66(95-53(5)104)73(115)70(112)59(45-99)127-86)135-87-67(96-54(6)105)83(81(62(48-102)129-87)133-89-76(118)74(116)68(110)51(3)126-89)134-91-79(121)85(71(113)60(46-100)128-91)137-93(92(122)123)43-57(107)65(94-52(4)103)82(136-93)69(111)58(108)44-98/h21-22,39,41,51,55-63,65-91,98-102,106-108,110-121H,7-20,23-38,40,42-50H2,1-6H3,(H,94,103)(H,95,104)(H,96,105)(H,97,109)(H,122,123)/b22-21-,41-39+/t51?,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+,87-,88+,89+,90-,91-,93-/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]3OC(CO)[C@@H](O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph