3,4-Dehydroadipyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM166078 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C27H37N7O19P3S charge -5 mass 888.11052 reference envipathM:...aa2460739b24 InChIKey VYSXESTVCZRDBA-ARJAWSKDSA-I InChI InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h3-4,13-15,20-22,26,39-40H,5-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/b4-3- SMILES CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)C/C=C\CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph