NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0)

Properties Image Occurences in reactions MNX_ID MNXM27297 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H160N4O39 charge 0 mass 1921.06597 reference lipidmapsM:LMSP0601EG05 InChIKey IIFQSGCNIZHDBB-JFVZMFFWSA-N InChI InChI=1S/C90H160N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(108)94-54(55(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-122-84-74(115)73(114)78(63(49-100)126-84)128-85-75(116)81(69(110)59(45-96)123-85)129-83-67(93-53(5)103)72(113)77(62(48-99)125-83)127-86-76(117)82(70(111)60(46-97)124-86)133-90(88(120)121)43-57(106)66(92-52(4)102)80(132-90)71(112)61(47-98)130-89(87(118)119)42-56(105)65(91-51(3)101)79(131-89)68(109)58(107)44-95/h38,40,54-63,65-86,95-100,104-107,109-117H,6-37,39,41-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,103)(H,94,108)(H,118,119)(H,120,121)/b40-38+/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 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](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(C)=O)C([C@H](O)[C@@H](CO)O[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)O5)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph