Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM22836 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H161N3O41 charge 0 mass 1940.06055 reference lipidmapsM:LMSP0504AT03 InChIKey BHXGUERWAURSPC-COHNSDOVSA-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)70(113)77(56(43-98)127-85)128-88-74(117)81(65(108)53(40-95)122-88)133-84-60(92-49(6)101)79(78(57(44-99)126-84)130-86-71(114)67(110)61(104)46(3)120-86)131-89-75(118)80(64(107)54(41-96)123-89)132-83-59(91-48(5)100)66(109)76(55(42-97)125-83)129-90-82(69(112)63(106)52(39-94)124-90)134-87-72(115)68(111)62(105)47(4)121-87/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]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph