3,4-dihydroxyphenylacetyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM14479 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C29H38N7O19P3S charge -4 mass 913.1178 reference metacycM:34-DIHYDROXYPHENYLACETYL-COA InChIKey BWFUCVJSCADRJW-CECATXLMSA-J InChI InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-6-5-19(39)31-7-8-59-20(40)10-15-3-4-16(37)17(38)9-15)12-52-58(49,50)55-57(47,48)51-11-18-23(54-56(44,45)46)22(41)28(53-18)36-14-35-21-25(30)33-13-34-26(21)36/h3-4,9,13-14,18,22-24,28,37-38,41-42H,5-8,10-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-4/t18-,22-,23-,24+,28-/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)Cc1ccc(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph