3,5-Dihydroxyphenylacetyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1107615 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C29H42N7O19P3S charge 0 mass 917.1469 reference sabiorkM:14356 InChIKey MAFTTXQJASXWBB-FFJUWABQSA-N InChI InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-4-3-19(39)31-5-6-59-20(40)9-15-7-16(37)10-17(38)8-15)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/h7-8,10,13-14,18,22-24,28,37-38,41-42H,3-6,9,11-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/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(O)C(O)=NCCC(O)=NCCSC(=O)Cc1cc(O)cc(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph