1-methylpyrrolidine-2-acetyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM9629 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C28H44N8O17P3S charge -3 mass 889.17744 reference metacycM:CPD-9771 InChIKey ISMXOVVYLAOVER-FPVIQYCMSA-K InChI InChI=1S/C28H47N8O17P3S/c1-28(2,23(40)26(41)31-7-6-18(37)30-8-10-57-19(38)11-16-5-4-9-35(16)3)13-50-56(47,48)53-55(45,46)49-12-17-22(52-54(42,43)44)21(39)27(51-17)36-15-34-20-24(29)32-14-33-25(20)36/h14-17,21-23,27,39-40H,4-13H2,1-3H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-3/t16?,17-,21-,22-,23+,27-/m1/s1 SMILES C[NH+]1CCCC1CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph