Fucalpha1-3GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM26679 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C87H154N4O40 charge 0 mass 1895.01394 reference lipidmapsM:LMSP0601CZ02 InChIKey PKILAPLLFZSTSL-XFSUZJBLSA-N InChI InChI=1S/C87H154N4O40/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-58(104)91-49(50(101)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)44-118-82-70(113)68(111)73(56(42-96)123-82)125-85-72(115)79(131-87(86(116)117)37-51(102)59(88-46(4)98)77(130-87)63(106)52(103)38-92)74(57(43-97)124-85)126-80-60(89-47(5)99)76(65(108)53(39-93)120-80)128-84-71(114)78(66(109)55(41-95)122-84)129-81-61(90-48(6)100)75(64(107)54(40-94)121-81)127-83-69(112)67(110)62(105)45(3)119-83/h33,35,45,49-57,59-85,92-97,101-103,105-115H,7-32,34,36-44H2,1-6H3,(H,88,98)(H,89,99)(H,90,100)(H,91,104)(H,116,117)/b35-33+/t45?,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](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(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)C3NC(C)=O)[C@H](O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph