GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM23229 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C86H154N4O38 charge 0 mass 1851.02411 reference lipidmapsM:LMSP0504AO03 InChIKey UDVSMOKJYURFBO-HBCIDSTRSA-N InChI InChI=1S/C86H154N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-58(102)90-49(50(101)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-115-83-70(111)69(110)74(57(44-97)122-83)123-84-71(112)78(66(107)54(41-94)119-84)127-81-60(88-47(4)99)76(64(105)52(39-92)117-81)125-86-73(114)79(67(108)56(43-96)121-86)128-82-61(89-48(5)100)75(63(104)53(40-93)118-82)124-85-72(113)77(65(106)55(42-95)120-85)126-80-59(87-46(3)98)68(109)62(103)51(38-91)116-80/h34,36,49-57,59-86,91-97,101,103-114H,6-33,35,37-45H2,1-5H3,(H,87,98)(H,88,99)(H,89,100)(H,90,102)/b36-34+/t49-,50+,51?,52?,53?,54?,55?,56?,57?,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-,85-,86-/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](O[C@@H]5OC(CO)[C@@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=O)C6O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph