1.0 2011-09-21 00:14:42 UTC 2015-07-21 06:57:14 UTC FDB022481 Dyspropterin Dyspropterin, an intermediate formed from dihydroneopterin triphosphate in the biosynthetic pathway of tetrahydrobiopterin. [HMDB] 6-(1,2-dioxopropyl)-5,6,7,8-tetrahydropterin 6-pyruvoyl-5,6,7,8-tetrahydropterin 6-pyruvoyl-tetrahydropterin 6-pyruvoyltetrahydropterin dyspropterin C9H11N5O3 237.2153 237.086189243 1-(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)propane-1,2-dione 1-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)propane-1,2-dione 89687-39-8 CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2 InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17) WBJZXBUVECZHCE-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 Alpha-amino ketones Alpha-diketones Azacyclic compounds Beta-amino ketones Gamma-amino ketones Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyrimidines Organic oxides Organopnictogen compounds Secondary alkylarylamines Alpha-aminoketone Alpha-diketone Amine Aromatic heteropolycyclic compound Azacycle Beta-aminoketone Carbonyl group Gamma-aminoketone Heteroaromatic compound Hydrocarbon derivative Hydroxypyrimidine Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pterin Pyrimidine Secondary aliphatic/aromatic amine Secondary amine a small molecule biopterins tetrahydropterin Solid logp -1.01 ALOGPS logs -2.56 ALOGPS solubility 6.47e-01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic 1.82 ChemAxon iupac 1-(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)propane-1,2-dione ChemAxon average_mass 237.2153 ChemAxon mono_mass 237.086189243 ChemAxon smiles CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2 ChemAxon formula C9H11N5O3 ChemAxon inchi InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17) ChemAxon inchikey WBJZXBUVECZHCE-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 67.02 ChemAxon polarizability 21.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Pterine Biosynthesis SMP00005 map00790 Specdb::CMs 23259 Specdb::CMs 119218 Specdb::CMs 137213 Specdb::CMs 144947 Specdb::MsMs 27689 Specdb::MsMs 27690 Specdb::MsMs 27691 Specdb::MsMs 34247 Specdb::MsMs 34248 Specdb::MsMs 34249 Specdb::MsMs 2385221 Specdb::MsMs 2385222 Specdb::MsMs 2385223 Specdb::MsMs 2577687 Specdb::MsMs 2577688 Specdb::MsMs 2577689 Specdb::NmrOneD 8902 Specdb::NmrOneD 8903 Specdb::NmrOneD 8904 Specdb::NmrOneD 8905 Specdb::NmrOneD 8906 Specdb::NmrOneD 8907 Specdb::NmrOneD 8908 Specdb::NmrOneD 8909 Specdb::NmrOneD 8910 Specdb::NmrOneD 8911 Specdb::NmrOneD 8912 Specdb::NmrOneD 8913 Specdb::NmrOneD 8914 Specdb::NmrOneD 8915 Specdb::NmrOneD 8916 Specdb::NmrOneD 8917 Specdb::NmrOneD 8918 Specdb::NmrOneD 8919 Specdb::NmrOneD 8920 Specdb::NmrOneD 8921 HMDB01195 17804 #<Reference:0x000056127358aa58> #<Reference:0x000056127358a8a0> #<Reference:0x000056127358a6e8> #<Reference:0x000056127358a508> 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 Sepiapterin reductase P35270 SPR