GalNAcbeta1-3Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM28231 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C84H151N3O37 charge 0 mass 1794.00264 reference lipidmapsM:LMSP0503AL03 InChIKey CEOQRTSTGCHTNC-RKJXMUCESA-N InChI InChI=1S/C84H151N3O37/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-56(97)87-48(49(96)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)44-111-80-69(108)66(105)73(54(42-92)117-80)120-82-70(109)67(106)72(55(43-93)118-82)119-79-58(86-47(5)95)74(61(100)51(39-89)114-79)121-84-77(124-81-68(107)65(104)59(98)45(3)112-81)76(63(102)53(41-91)116-84)123-83-71(110)75(62(101)52(40-90)115-83)122-78-57(85-46(4)94)64(103)60(99)50(38-88)113-78/h34,36,45,48-55,57-84,88-93,96,98-110H,6-33,35,37-44H2,1-5H3,(H,85,94)(H,86,95)(H,87,97)/b36-34+/t45?,48-,49+,50?,51?,52?,53?,54?,55?,57?,58?,59+,60-,61-,62-,63-,64+,65?,66+,67+,68-,69?,70?,71?,72-,73+,74+,75-,76-,77?,78-,79-,80+,81+,82-,83+,84-/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]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6NC(C)=O)C5O)C4O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph