3,5-dioxodecanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM97279 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C31H46N7O19P3S charge -4 mass 945.1804 reference metacycM:CPD-14687 InChIKey CFIAMSAKPMQXNK-HSJNEKGZSA-J InChI InChI=1S/C31H50N7O19P3S/c1-4-5-6-7-18(39)12-19(40)13-22(42)61-11-10-33-21(41)8-9-34-29(45)26(44)31(2,3)15-54-60(51,52)57-59(49,50)53-14-20-25(56-58(46,47)48)24(43)30(55-20)38-17-37-23-27(32)35-16-36-28(23)38/h16-17,20,24-26,30,43-44H,4-15H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/t20-,24-,25-,26+,30-/m1/s1 SMILES CCCCCC(=O)CC(=O)CC(=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