NeuAcalpha2-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM27556 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H167N3O40 charge 0 mass 1966.11259 reference lipidmapsM:LMSP0601GH06 InChIKey NACKNJVEVROLBK-AVVOPCCPSA-N InChI InChI=1S/C93H167N3O40/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-64(108)96-55(56(105)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-123-87-75(117)73(115)79(62(49-101)129-87)130-89-77(119)84(70(112)60(47-99)125-89)134-90-76(118)83(69(111)59(46-98)126-90)133-86-66(95-54(5)104)82(132-88-74(116)72(114)67(109)52(3)124-88)80(63(50-102)128-86)131-91-78(120)85(71(113)61(48-100)127-91)136-93(92(121)122)44-57(106)65(94-53(4)103)81(135-93)68(110)58(107)45-97/h40,42,52,55-63,65-91,97-102,105-107,109-120H,6-39,41,43-51H2,1-5H3,(H,94,103)(H,95,104)(H,96,108)(H,121,122)/b42-40+/t52?,55-,56+,57?,58+,59?,60?,61?,62?,63?,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+,91-,93-/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](O[C@@H]5OC(CO)[C@H](O)[C@H](O[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)C5O)[C@H](O[C@H]5OC(C)[C@@H](O)C(O)[C@@H]5O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph