1.0 2011-09-21 00:16:46 UTC 2018-05-29 01:52:51 UTC FDB022605 2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine This compound It is a byproduct of 6-pyruvoyltetrahydropterin synthase (EC 4.2.3.12), and associated with 6-Pyruvoyltetrahydropterin synthase deficiency (an autosomal recessive disorder that causes malignant hyperphenylalaninemia due to tetrahydrobiopterin deficiency). [HMDB] 2-amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine C9H9N5O5 267.1983 267.060368423 1-(2-amino-7,8-dihydroxy-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)propane-1,2-dione 1-(2-amino-7,8-dihydroxy-4-oxo-3,7-dihydropteridin-6-yl)propane-1,2-dione CC(=O)C(=O)C1=NC2=C(N=C(N)NC2=O)N(O)C1O InChI=1S/C9H9N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h8,18-19H,1H3,(H3,10,12,13,17) QBHQZPRDJMYEDG-UHFFFAOYSA-N belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. Pterins and derivatives Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Aromatic heteropolycyclic compounds Alkanolamines Alpha-diketones Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Ketimines N-organohydroxylamines Organic oxides Organopnictogen compounds Primary amines Propargyl-type 1,3-dipolar organic compounds Pyrimidones Vinylogous amides Alkanolamine Alpha-diketone Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Carbonyl group Heteroaromatic compound Hydrocarbon derivative Imine Ketimine Ketone N-organohydroxylamine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Propargyl-type 1,3-dipolar organic compound Pterin Pyrimidine Pyrimidone Vinylogous amide Solid logp -0.83 ALOGPS logs -2.71 ALOGPS solubility 5.18e-01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 10.77 ChemAxon pka_strongest_basic 2.26 ChemAxon iupac 1-(2-amino-7,8-dihydroxy-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)propane-1,2-dione ChemAxon average_mass 267.1983 ChemAxon mono_mass 267.060368423 ChemAxon smiles CC(=O)C(=O)C1=NC2=C(N=C(N)NC2=O)N(O)C1O ChemAxon formula C9H9N5O5 ChemAxon inchi InChI=1S/C9H9N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h8,18-19H,1H3,(H3,10,12,13,17) ChemAxon inchikey QBHQZPRDJMYEDG-UHFFFAOYSA-N ChemAxon polar_surface_area 157.68 ChemAxon refractivity 69.81 ChemAxon polarizability 23.4 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21059 Specdb::CMs 38060 Specdb::CMs 161103 Specdb::NmrOneD 95978 Specdb::NmrOneD 95979 Specdb::NmrOneD 95980 Specdb::NmrOneD 95981 Specdb::NmrOneD 95982 Specdb::NmrOneD 95983 Specdb::NmrOneD 95984 Specdb::NmrOneD 95985 Specdb::NmrOneD 95986 Specdb::NmrOneD 95987 Specdb::NmrOneD 95988 Specdb::NmrOneD 95989 Specdb::NmrOneD 95990 Specdb::NmrOneD 95991 Specdb::NmrOneD 95992 Specdb::NmrOneD 95993 Specdb::NmrOneD 95994 Specdb::NmrOneD 95995 Specdb::NmrOneD 95996 Specdb::NmrOneD 95997 Specdb::MsMs 312871 Specdb::MsMs 312872 Specdb::MsMs 312873 Specdb::MsMs 358231 Specdb::MsMs 358232 Specdb::MsMs 358233 Specdb::MsMs 2391082 Specdb::MsMs 2391083 Specdb::MsMs 2391084 Specdb::MsMs 2575123 Specdb::MsMs 2575124 Specdb::MsMs 2575125 HMDB01410 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823