Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM22648 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H161N3O41 charge 0 mass 1940.06055 reference lipidmapsM:LMSP0504BC03 InChIKey WLGPWPTXJSOVAT-MKEKMGOESA-N InChI InChI=1S/C90H161N3O41/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-58(103)93-50(51(102)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)45-119-85-73(116)69(112)76(55(42-97)127-85)128-89-74(117)81(64(107)53(40-95)123-89)133-84-60(92-49(6)101)80(77(56(43-98)125-84)129-86-70(113)66(109)61(104)46(3)120-86)132-90-75(118)82(65(108)54(41-96)124-90)134-83-59(91-48(5)100)79(131-87-71(114)67(110)62(105)47(4)121-87)78(57(44-99)126-83)130-88-72(115)68(111)63(106)52(39-94)122-88/h35,37,46-47,50-57,59-90,94-99,102,104-118H,7-34,36,38-45H2,1-6H3,(H,91,100)(H,92,101)(H,93,103)/b37-35+/t46?,47?,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(C)[C@@H](O)C(O)[C@@H]4O)[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)C6O)[C@H](O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph