GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM27791 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C88H156N4O42 charge 0 mass 1941.01942 reference lipidmapsM:LMSP0505BH01 InChIKey ZMPACVFZIHOPSD-MCKONSFPSA-N InChI InChI=1S/C88H156N4O42/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-48(103)47(92-56(104)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-119-84-70(115)68(113)75(54(40-98)127-84)129-87-71(116)78(62(107)50(36-94)123-87)133-82-58(90-45(5)101)66(111)74(53(39-97)125-82)128-86-72(117)80(64(109)51(37-95)122-86)134-83-59(91-46(6)102)77(131-85-69(114)67(112)60(105)43(3)120-85)76(55(41-99)126-83)130-88-73(118)79(63(108)52(38-96)124-88)132-81-57(89-44(4)100)65(110)61(106)49(35-93)121-81/h31,33,43,47-55,57-88,93-99,103,105-118H,7-30,32,34-42H2,1-6H3,(H,89,100)(H,90,101)(H,91,102)(H,92,104)/b33-31+/t43?,47-,48+,49?,50?,51?,52?,53?,54?,55?,57?,58?,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-/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)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph