GalNAcalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM28540 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C84H151N3O33 charge 0 mass 1730.02298 reference lipidmapsM:LMSP0502BE08 InChIKey HPVXZOFLGMSJFT-SYXLOYJNSA-N InChI InChI=1S/C84H151N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(97)87-52(53(96)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-109-81-70(105)68(103)74(58(47-92)114-81)116-82-71(106)69(104)75(59(48-93)115-82)117-83-72(107)78(66(101)56(45-90)112-83)120-80-62(86-51(4)95)76(64(99)55(44-89)111-80)118-84-73(108)77(65(100)57(46-91)113-84)119-79-61(85-50(3)94)67(102)63(98)54(43-88)110-79/h19-20,39,41,52-59,61-84,88-93,96,98-108H,5-18,21-38,40,42-49H2,1-4H3,(H,85,94)(H,86,95)(H,87,97)/b20-19-,41-39+/t52-,53+,54?,55?,56?,57?,58?,59?,61?,62?,63-,64-,65-,66-,67+,68+,69+,70?,71?,72?,73?,74+,75-,76+,77-,78-,79+,80-,81+,82-,83-,84-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[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)C6NC(C)=O)C5O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph