Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM27832 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C104H184N4O47 charge 0 mass 2241.21309 reference lipidmapsM:LMSP0505CP08 InChIKey SPQPXHAOAHELGZ-JXBDPPMESA-N InChI InChI=1S/C104H184N4O47/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(120)108-58(59(119)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)52-138-99-86(135)83(132)92(66(51-115)147-99)151-102-87(136)93(75(124)62(47-111)142-102)153-97-70(106-56(5)117)78(127)90(64(49-113)145-97)150-103-88(137)94(76(125)67(148-103)53-139-96-69(105-55(4)116)77(126)89(63(48-112)144-96)149-101-85(134)81(130)73(122)60(45-109)141-101)154-98-71(107-57(6)118)79(128)91(65(50-114)146-98)152-104-95(82(131)74(123)61(46-110)143-104)155-100-84(133)80(129)72(121)54(3)140-100/h21-22,41,43,54,58-67,69-104,109-115,119,121-137H,7-20,23-40,42,44-53H2,1-6H3,(H,105,116)(H,106,117)(H,107,118)(H,108,120)/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+,100+,101-,102-,103-,104-/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](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O)[C@H](O)C5NC(C)=O)[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]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph