NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM23809 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C103H181N5O47 charge 0 mass 2240.19269 reference lipidmapsM:LMSP0601ET06 InChIKey CXRKBARYXJJBFR-PGSHEPDISA-N InChI InChI=1S/C103H181N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(125)108-60(61(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-142-95-84(133)83(132)88(71(54-115)146-95)148-96-85(134)92(78(127)66(49-110)143-96)149-94-76(107-59(6)119)82(131)87(70(53-114)145-94)147-97-86(135)93(79(128)67(50-111)144-97)155-103(100(140)141)47-64(123)75(106-58(5)118)91(154-103)81(130)69(52-113)151-102(99(138)139)46-63(122)74(105-57(4)117)90(153-102)80(129)68(51-112)150-101(98(136)137)45-62(121)73(104-56(3)116)89(152-101)77(126)65(124)48-109/h41,43,60-71,73-97,109-115,120-124,126-135H,7-40,42,44-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b43-41+/t60-,61+,62?,63?,64?,65+,66?,67?,68+,69+,70?,71?,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-,101+,102+,103-/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](O[C@@H]3OC(CO)[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](CO)O[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)O6)O5)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph