GalNAcalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM27272 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C82H147N3O33 charge 0 mass 1701.99168 reference lipidmapsM:LMSP0502BE07 InChIKey CMCQGPGOPMJJDZ-WWRHZBINSA-N InChI InChI=1S/C82H147N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(95)85-50(51(94)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-107-79-68(103)66(101)72(56(45-90)112-79)114-80-69(104)67(102)73(57(46-91)113-80)115-81-70(105)76(64(99)54(43-88)110-81)118-78-60(84-49(4)93)74(62(97)53(42-87)109-78)116-82-71(106)75(63(98)55(44-89)111-82)117-77-59(83-48(3)92)65(100)61(96)52(41-86)108-77/h19-20,37,39,50-57,59-82,86-91,94,96-106H,5-18,21-36,38,40-47H2,1-4H3,(H,83,92)(H,84,93)(H,85,95)/b20-19-,39-37+/t50-,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-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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