1.0 2011-09-21 01:38:43 UTC 2015-07-21 06:59:23 UTC FDB028370 Molybdopterin precursor Z Molybdopterin precursor Z is a molybdopterin precursor. All molybdenum-containing oxotransferases use molybdenum in the form of a pterin-containing cofactor. In some of these enzymes, this cofactor consists of molybdenum ligated to a phosphorylated pterin, called molybdopterin (MPT). MPT is a tricyclic pyranopterin containing a cis-dithiolene group. Together, the metal and the pterin moiety form the redox reactive molybdenum cofactor (MoCo). Conversion of precursor Z to molybdopterin requires the opening of a cyclic phosphate to produce a terminal mono-ester and the transfer of sulfur to generate the dithiolene function essential for molybdenum ligation. Molybdopterin (MPT)-synthase is the enzyme necessary for the conversion of precursor Z into molybdopterin. The large and small subunits of molybdopterin synthase are both encoded from a single gene by overlapping open reading frames. Mutations in patients with deficiencies in MoCo biosynthesis usually occur in the enzymes catalyzing the first and second steps of biosynthesis, leading to the formation of precursor Z and MPT, respectively. The second step is catalyzed by the heterotetrameric MPT synthase protein consisting of two large (MoaE) and two small (MoaD) subunits with the MoaD subunits located at opposite ends of a central MoaE dimer. Previous studies have determined that the conversion of the sulfur- and metal-free precursor Z to MPT by MPT synthase involves the transfer of sulfur atoms from a C-terminal MoaD thiocarboxylate to the C-1' and C-2' positions of precursor Z. [HMDB] Precursor Z C10H11N5O7P 344.1974 344.039609243 4-(2-amino-4-oxo-4,6,7,8-tetrahydropteridine-6-carbonyl)-5-hydroxy-2-oxo-1,3,2λ⁵-dioxaphosphinan-2-olate 4-(2-amino-4-oxo-7,8-dihydro-6H-pteridine-6-carbonyl)-5-hydroxy-2-oxo-1,3,2λ⁵-dioxaphosphinan-2-olate NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP([O-])(=O)OCC1O InChI=1S/C10H12N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h3-4,7,16H,1-2H2,(H,19,20)(H3,11,12,14,15,18)/p-1 YQGTWNYNWXGPDP-UHFFFAOYSA-M 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 Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Ketones Organic anions Organic oxides Organic phosphoric acids and derivatives Organopnictogen compounds Oxacyclic compounds Primary amines Pyrimidones Secondary alcohols Vinylogous amides Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Carbonyl group Heteroaromatic compound Hydrocarbon derivative Imidolactam Ketone Organic anion Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary amine Pterin Pyrimidine Pyrimidone Secondary alcohol Vinylogous amide Solid logp -1.45 ALOGPS logs -1.62 ALOGPS solubility 8.73e+00 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 1.77 ChemAxon pka_strongest_basic 3.34 ChemAxon iupac 4-(2-amino-4-oxo-4,6,7,8-tetrahydropteridine-6-carbonyl)-5-hydroxy-2-oxo-1,3,2λ⁵-dioxaphosphinan-2-olate ChemAxon average_mass 344.1974 ChemAxon mono_mass 344.039609243 ChemAxon smiles NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP([O-])(=O)OCC1O ChemAxon formula C10H11N5O7P ChemAxon inchi InChI=1S/C10H12N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h3-4,7,16H,1-2H2,(H,19,20)(H3,11,12,14,15,18)/p-1 ChemAxon inchikey YQGTWNYNWXGPDP-UHFFFAOYSA-M ChemAxon polar_surface_area 188.09 ChemAxon refractivity 69.74 ChemAxon polarizability 28.68 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::MsMs 368578 Specdb::MsMs 368579 Specdb::MsMs 368580 HMDB11683 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