Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM24011 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C90H160N4O42 charge 0 mass 1969.05072 reference lipidmapsM:LMSP0504AX02 InChIKey CHZFAOITLYJIJH-QPWOHGAQSA-N InChI InChI=1S/C90H160N4O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-58(105)94-49(50(104)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)43-121-86-74(118)72(116)77(56(42-100)129-86)131-88-75(119)80(67(111)55(41-99)127-88)134-84-60(92-47(5)102)78(65(109)53(39-97)125-84)132-89-76(120)81(68(112)57(130-89)44-122-83-59(91-46(4)101)69(113)63(107)51(37-95)124-83)135-85-61(93-48(6)103)79(66(110)54(40-98)126-85)133-90-82(71(115)64(108)52(38-96)128-90)136-87-73(117)70(114)62(106)45(3)123-87/h33,35,45,49-57,59-90,95-100,104,106-120H,7-32,34,36-44H2,1-6H3,(H,91,101)(H,92,102)(H,93,103)(H,94,105)/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](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[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)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph