GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM23243 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H163N3O36 charge 0 mass 1862.10163 reference lipidmapsM:LMSP0505BM06 InChIKey OYZJVBGXOBFUMD-WTUOLAIWSA-N InChI InChI=1S/C90H163N3O36/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-62(102)93-55(56(101)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)50-116-86-76(114)73(111)78(60(48-97)123-86)124-89-77(115)81(68(106)58(46-95)120-89)127-85-64(92-54(6)100)80(126-87-74(112)71(109)65(103)51(3)117-87)79(61(49-98)122-85)125-90-83(129-88-75(113)72(110)66(104)52(4)118-88)82(69(107)59(47-96)121-90)128-84-63(91-53(5)99)70(108)67(105)57(45-94)119-84/h41,43,51-52,55-61,63-90,94-98,101,103-115H,7-40,42,44-50H2,1-6H3,(H,91,99)(H,92,100)(H,93,102)/b43-41+/t51?,52?,55-,56+,57?,58?,59?,60?,61?,63?,64?,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-/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@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)C4O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[C@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph