GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM23545 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C89H160N4O36 charge 0 mass 1861.08123 reference lipidmapsM:LMSP0601DP06 InChIKey HBSMKDGRGGTTIM-MRNFJXNISA-N InChI InChI=1S/C89H160N4O36/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(106)93-55(56(103)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-118-85-74(113)73(112)77(62(49-98)122-85)124-86-75(114)81(71(110)61(48-97)121-86)127-84-67(92-54(5)102)79(70(109)60(47-96)120-84)126-87-76(115)82(78(63(50-99)123-87)125-83-66(91-53(4)101)72(111)69(108)59(46-95)119-83)129-89(88(116)117)44-57(104)65(90-52(3)100)80(128-89)68(107)58(105)45-94/h40,42,55-63,65-87,94-99,103-105,107-115H,6-39,41,43-51H2,1-5H3,(H,90,100)(H,91,101)(H,92,102)(H,93,106)(H,116,117)/b42-40+/t55-,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-,89-/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](O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=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)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph