GalNAcalpha1-3GalNAcbeta1-3(GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM25152 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C86H154N4O33 charge 0 mass 1771.04953 reference lipidmapsM:LMSP0502BB08 InChIKey UEENRMRFOIVKTH-OQEWSVLGSA-N InChI InChI=1S/C86H154N4O33/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-62(101)90-54(55(100)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)50-112-84-73(109)71(107)76(59(47-94)116-84)119-85-74(110)72(108)77(60(48-95)117-85)120-86-75(111)80(78(61(49-96)118-86)121-81-63(87-51(3)97)69(105)66(102)56(44-91)113-81)123-83-65(89-53(5)99)79(68(104)58(46-93)115-83)122-82-64(88-52(4)98)70(106)67(103)57(45-92)114-82/h20-21,40,42,54-61,63-86,91-96,100,102-111H,6-19,22-39,41,43-50H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,101)/b21-20-,42-40+/t54-,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-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4NC(C)=O)[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)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph