NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM25444 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H164N4O42 charge 0 mass 2009.08202 reference lipidmapsM:LMSP0601EO07 InChIKey MZOHFLRXMAXVHP-OKFRBILPSA-N InChI InChI=1S/C93H164N4O42/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(111)96-53(54(108)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)50-126-88-75(120)74(119)81(62(48-104)132-88)135-90-77(122)84(70(115)58(44-100)128-90)137-86-66(94-51(3)106)72(117)79(60(46-102)130-86)133-89-76(121)83(69(114)57(43-99)127-89)136-87-67(95-52(4)107)73(118)80(61(47-103)131-87)134-91-78(123)85(71(116)59(45-101)129-91)139-93(92(124)125)41-55(109)65(97-64(112)49-105)82(138-93)68(113)56(110)42-98/h19-20,37,39,53-62,65-91,98-105,108-110,113-123H,5-18,21-36,38,40-50H2,1-4H3,(H,94,106)(H,95,107)(H,96,111)(H,97,112)(H,124,125)/b20-19-,39-37+/t53-,54+,55?,56+,57?,58?,59?,60?,61?,62?,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](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(=O)CO)C([C@H](O)[C@H](O)CO)O7)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph