NeuAcalpha2-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM27408 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C101H178N4O45 charge 0 mass 2167.17631 reference lipidmapsM:LMSP0601DN08 InChIKey MHTFUOICUYITHM-DJXMSQERSA-N InChI InChI=1S/C101H178N4O45/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-68(118)105-58(59(115)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)52-135-95-83(130)80(127)87(65(50-110)142-95)145-98-84(131)91(76(123)67(143-98)53-136-93-70(103-56(5)113)77(124)86(64(49-109)140-93)144-97-82(129)79(126)74(121)62(47-107)138-97)148-94-71(104-57(6)114)90(88(66(51-111)141-94)146-96-81(128)78(125)72(119)54(3)137-96)147-99-85(132)92(75(122)63(48-108)139-99)150-101(100(133)134)45-60(116)69(102-55(4)112)89(149-101)73(120)61(117)46-106/h21-22,41,43,54,58-67,69-99,106-111,115-117,119-132H,7-20,23-40,42,44-53H2,1-6H3,(H,102,112)(H,103,113)(H,104,114)(H,105,118)(H,133,134)/b22-21-,43-41+/t54?,58-,59+,60?,61+,62?,63?,64?,65?,66?,67?,69+,70?,71?,72+,73+,74-,75-,76-,77+,78?,79-,80+,81-,82?,83?,84?,85?,86+,87+,88+,89?,90+,91-,92-,93+,94-,95+,96+,97-,98-,99-,101-/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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph