NeuAcalpha2-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM24971 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C91H162N4O40 charge 0 mass 1951.07654 reference lipidmapsM:LMSP0601DM04 InChIKey KWLAFISCUGIHKP-UFJDZARCSA-N InChI InChI=1S/C91H162N4O40/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-62(107)95-53(54(104)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)47-122-86-75(117)73(115)78(59(45-99)128-86)130-88-76(118)82(70(112)61(129-88)48-123-84-64(93-51(5)102)71(113)68(110)57(43-97)125-84)133-85-65(94-52(6)103)81(79(60(46-100)127-85)131-87-74(116)72(114)66(108)49(3)124-87)132-89-77(119)83(69(111)58(44-98)126-89)135-91(90(120)121)41-55(105)63(92-50(4)101)80(134-91)67(109)56(106)42-96/h37,39,49,53-61,63-89,96-100,104-106,108-119H,7-36,38,40-48H2,1-6H3,(H,92,101)(H,93,102)(H,94,103)(H,95,107)(H,120,121)/b39-37+/t49?,53-,54+,55?,56+,57?,58?,59?,60?,61?,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-,91-/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]3OC(CO)[C@@H](O)[C@H](O)C3NC(C)=O)[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@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph