NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM25049 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C103H181N5O51 charge 0 mass 2304.17235 reference lipidmapsM:LMSP0601FK03 InChIKey XKULJBJNKIOWNV-RDYRQHEASA-N InChI InChI=1S/C103H181N5O51/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(125)108-54(55(122)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)49-142-97-80(135)79(134)88(65(48-117)150-97)154-100-83(138)92(74(129)60(43-112)145-100)157-95-69(106-52(5)120)77(132)86(63(46-115)148-95)152-98-81(136)90(72(127)58(41-110)143-98)155-94-68(105-51(4)119)76(131)85(62(45-114)147-94)151-99-82(137)91(73(128)59(42-111)144-99)156-96-70(107-53(6)121)78(133)87(64(47-116)149-96)153-101-84(139)93(75(130)61(44-113)146-101)159-103(102(140)141)39-56(123)67(104-50(3)118)89(158-103)71(126)57(124)40-109/h35,37,54-65,67-101,109-117,122-124,126-139H,7-34,36,38-49H2,1-6H3,(H,104,118)(H,105,119)(H,106,120)(H,107,121)(H,108,125)(H,140,141)/b37-35+/t54-,55+,56?,57+,58?,59?,60?,61?,62?,63?,64?,65?,67+,68?,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-,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@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@@H]7OC(CO)[C@@H](O[C@@H]8OC(CO)[C@H](O)[C@H](O[C@]9(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O9)C8O)[C@H](O)C7NC(C)=O)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph