NeuGcalpha2-8NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM22944 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H158N4O41 charge 0 mass 1951.04015 reference lipidmapsM:LMSP0601FG07 InChIKey AUJFBXWTYXKLCO-JEDBDBKYSA-N InChI InChI=1S/C90H158N4O41/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-62(108)92-52(53(104)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)50-124-84-74(117)73(116)78(61(47-100)128-84)130-85-75(118)81(69(112)57(43-96)125-85)131-83-67(91-51(3)103)72(115)77(60(46-99)127-83)129-86-76(119)82(70(113)58(44-97)126-86)135-90(88(122)123)41-55(106)66(94-64(110)49-102)80(134-90)71(114)59(45-98)132-89(87(120)121)40-54(105)65(93-63(109)48-101)79(133-89)68(111)56(107)42-95/h18-19,36,38,52-61,65-86,95-102,104-107,111-119H,4-17,20-35,37,39-50H2,1-3H3,(H,91,103)(H,92,108)(H,93,109)(H,94,110)(H,120,121)(H,122,123)/b19-18-,38-36+/t52-,53+,54?,55?,56+,57?,58?,59+,60?,61?,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](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](NC(=O)CO)C([C@H](O)[C@@H](CO)O[C@]6(C(=O)O)CC(O)[C@@H](NC(=O)CO)C([C@H](O)[C@H](O)CO)O6)O5)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