GalNAcbeta1-3Galalpha1-3(NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM26681 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C87H154N4O41 charge 0 mass 1911.00885 reference lipidmapsM:LMSP0601GQ02 InChIKey FVGQTWQZEFJLQD-ZTYUOOHESA-N InChI InChI=1S/C87H154N4O41/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(104)91-48(49(101)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-119-82-70(113)69(112)75(56(42-97)125-82)128-84-72(115)78(130-83-71(114)77(64(107)53(39-94)122-83)129-81-60(89-46(4)99)67(110)63(106)52(38-93)121-81)66(109)57(126-84)44-120-80-61(90-47(5)100)68(111)74(55(41-96)124-80)127-85-73(116)79(65(108)54(40-95)123-85)132-87(86(117)118)36-50(102)59(88-45(3)98)76(131-87)62(105)51(103)37-92/h32,34,48-57,59-85,92-97,101-103,105-116H,6-31,33,35-44H2,1-5H3,(H,88,98)(H,89,99)(H,90,100)(H,91,104)(H,117,118)/b34-32+/t48-,49+,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-,87-/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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4O)[C@H](O)C3NC(C)=O)[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)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph