2.0 2012-08-09 09:25:23 -0600 2015-06-03 17:21:44 -0600 ECMDB21541 M2MDB001936 Hydroxyphenylhydantoin Hydroxyphenylhydantoin is a member of the chemical class known as Ureides. These are compounds containing an ureide group with the general structure R-CO-NH-CO-N(R)R'', formally derived by the acylation of urea. Hydroxyphenylhydantoin is a substrate that is processed by D-phenylhydantoinase (HyuA gene) (in vitro). 5-(4-Hydroxyphenyl)-2,4-imidazolidinedione, 5-(4-hydroxyphenyl)imidazolidine-2,4-dione 5-(p-Hydroxyphenyl)hydantoin C9H8N2O3 192.1714 192.053492132 3-hydroxy-1-phenylimidazolidine-2,4-dione 3-hydroxy-1-phenylimidazolidine-2,4-dione ON1C(=O)CN(C1=O)C1=CC=CC=C1 InChI=1S/C9H8N2O3/c12-8-6-10(9(13)11(8)14)7-4-2-1-3-5-7/h1-5,14H,6H2 IEUWJBJXAOXHGF-UHFFFAOYSA-N Cytoplasm logp 0.04 ALOGPS logs -1.44 ALOGPS solubility 7.02e+00 g/l ALOGPS logp 0.43 ChemAxon pka_strongest_acidic 7.12 ChemAxon pka_strongest_basic -6.2 ChemAxon iupac 3-hydroxy-1-phenylimidazolidine-2,4-dione ChemAxon average_mass 192.1714 ChemAxon mono_mass 192.053492132 ChemAxon smiles ON1C(=O)CN(C1=O)C1=CC=CC=C1 ChemAxon formula C9H8N2O3 ChemAxon inchi InChI=1S/C9H8N2O3/c12-8-6-10(9(13)11(8)14)7-4-2-1-3-5-7/h1-5,14H,6H2 ChemAxon inchikey IEUWJBJXAOXHGF-UHFFFAOYSA-N ChemAxon polar_surface_area 60.85 ChemAxon refractivity 47.48 ChemAxon polarizability 18.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 319731 Specdb::NmrOneD 319732 Specdb::NmrOneD 319733 Specdb::NmrOneD 319734 Specdb::NmrOneD 319735 Specdb::NmrOneD 319736 Specdb::NmrOneD 319737 Specdb::NmrOneD 319738 Specdb::NmrOneD 319739 Specdb::NmrOneD 319740 Specdb::NmrOneD 319741 Specdb::NmrOneD 319742 Specdb::NmrOneD 319743 Specdb::NmrOneD 319744 Specdb::NmrOneD 319745 Specdb::NmrOneD 319746 Specdb::NmrOneD 319747 Specdb::NmrOneD 319748 Specdb::NmrOneD 319749 Specdb::NmrOneD 319750 Specdb::MsMs 28295 Specdb::MsMs 28296 Specdb::MsMs 28297 Specdb::MsMs 34853 Specdb::MsMs 34854 Specdb::MsMs 34855 53429923 26559222 Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. 18331064 D-phenylhydantoinase Q46806 PHYDA_ECOLI hyuA http://ecmdb.ca/proteins/Q46806.xml