chloroethylmalonyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM10927 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C26H36ClN7O19P3S charge -5 mass 910.07155 reference metacycM:CPD-12675 InChIKey JBXARLINRLQPIS-MIZDRFBCSA-I InChI InChI=1S/C26H41ClN7O19P3S/c1-26(2,19(37)22(38)30-6-4-15(35)29-7-8-57-25(41)13(3-5-27)24(39)40)10-50-56(47,48)53-55(45,46)49-9-14-18(52-54(42,43)44)17(36)23(51-14)34-12-33-16-20(28)31-11-32-21(16)34/h11-14,17-19,23,36-37H,3-10H2,1-2H3,(H,29,35)(H,30,38)(H,39,40)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/t13?,14-,17-,18-,19+,23-/m1/s1 SMILES CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(CCCl)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph