Galbeta1-4GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM24529 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C84H153N3O33 charge 0 mass 1732.03863 reference lipidmapsM:LMSP0503AD06 InChIKey OKEFDEFJNJERCK-SPGDYXSWSA-N InChI InChI=1S/C84H153N3O33/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)49-109-81-71(106)68(103)76(58(47-92)114-81)118-83-72(107)69(104)75(59(48-93)115-83)116-80-62(86-51(4)95)77(64(99)55(44-89)110-80)119-84-73(108)78(65(100)56(45-90)112-84)120-79-61(85-50(3)94)66(101)74(57(46-91)113-79)117-82-70(105)67(102)63(98)54(43-88)111-82/h39,41,52-59,61-84,88-93,96,98-108H,5-38,40,42-49H2,1-4H3,(H,85,94)(H,86,95)(H,87,97)/b41-39+/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 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]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]6OC(CO)[C@H](O)[C@H](O)C6O)[C@H](O)C5NC(C)=O)C4O)C3NC(C)=O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph