GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM24543 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H160N4O42 charge 0 mass 1969.05072 reference lipidmapsM:LMSP0505BH02 InChIKey REVHKSFTHFDNBI-JQPSOAQHSA-N InChI InChI=1S/C90H160N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-58(106)94-49(50(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)44-121-86-72(117)70(115)77(56(42-100)129-86)131-89-73(118)80(64(109)52(38-96)125-89)135-84-60(92-47(5)103)68(113)76(55(41-99)127-84)130-88-74(119)82(66(111)53(39-97)124-88)136-85-61(93-48(6)104)79(133-87-71(116)69(114)62(107)45(3)122-87)78(57(43-101)128-85)132-90-75(120)81(65(110)54(40-98)126-90)134-83-59(91-46(4)102)67(112)63(108)51(37-95)123-83/h33,35,45,49-57,59-90,95-101,105,107-120H,7-32,34,36-44H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,106)/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-,86+,87+,88-,89-,90-/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]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[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)[C@H](O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph