NeuAcalpha2-6Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM24421 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C85H151N3O36 charge 0 mass 1790.00773 reference lipidmapsM:LMSP0601GL07 InChIKey SCKWCSYJAUESFD-CMBMRZFLSA-N InChI InChI=1S/C85H151N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(99)88-51(52(96)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-113-80-71(108)69(106)74(58(46-93)118-80)120-82-73(110)78(67(104)57(45-92)116-82)123-83-72(109)77(66(103)56(44-91)117-83)122-79-62(87-50(4)95)75(65(102)55(43-90)115-79)121-81-70(107)68(105)64(101)59(119-81)48-114-85(84(111)112)41-53(97)61(86-49(3)94)76(124-85)63(100)54(98)42-89/h19-20,37,39,51-59,61-83,89-93,96-98,100-110H,5-18,21-36,38,40-48H2,1-4H3,(H,86,94)(H,87,95)(H,88,99)(H,111,112)/b20-19-,39-37+/t51-,52+,53?,54+,55?,56?,57?,58?,59?,61+,62?,63+,64-,65-,66-,67-,68-,69+,70?,71?,72?,73?,74+,75+,76?,77-,78-,79-,80+,81-,82-,83+,85+/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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](O[C@@H]5OC(CO[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)C5O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph