1.0 2011-09-21 00:39:55 UTC 2015-07-21 06:58:00 UTC FDB024103 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine is involved in folate biosynthesis. 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine is created from 2,5-Diaminopyrimidine nucleoside triphosphate by GTP cyclohydrolase I [EC:3.5.4.16]. 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine can be converted into 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate by GTP cyclohydrolase I [EC:3.5.4.16]. GTP cyclohydrolase I [EC:3.5.4.16] can also be converted to 6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin. [HMDB] C9H18N5O14P3 513.1856 513.006309845 [({[({5-[(2,5-diamino-6-oxo-3,6-dihydropyrimidin-4-yl)amino]-2,3-dihydroxy-4-oxopentyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid [({5-[(2,5-diamino-6-oxo-3H-pyrimidin-4-yl)amino]-2,3-dihydroxy-4-oxopentyl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxyphosphonic acid NC1=NC(=O)C(N)=C(NCC(=O)C(O)C(O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1 InChI=1S/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18) ZJYBJXKSWQPKFW-UHFFFAOYSA-N belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Pentose phosphates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1,2-diols Acyloins Alpha-hydroxy ketones Aminopyrimidines and derivatives Azacyclic compounds Beta-hydroxy ketones Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organopnictogen compounds Primary amines Pyrimidones Secondary alcohols Secondary alkylarylamines Vinylogous amides 1,2-diol Acyloin Alcohol Alkyl phosphate Alpha-hydroxy ketone Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Beta-hydroxy ketone Carbonyl group Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Ketone Monoalkyl phosphate Monosaccharide phosphate Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pentose-5-phosphate Phosphoric acid ester Primary amine Pyrimidine Pyrimidone Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide Solid logp -0.86 ALOGPS logs -1.90 ALOGPS solubility 6.42e+00 g/l ALOGPS logp -6.2 ChemAxon pka_strongest_acidic 0.89 ChemAxon pka_strongest_basic 3.72 ChemAxon iupac [({[({5-[(2,5-diamino-6-oxo-3,6-dihydropyrimidin-4-yl)amino]-2,3-dihydroxy-4-oxopentyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid ChemAxon average_mass 513.1856 ChemAxon mono_mass 513.006309845 ChemAxon smiles NC1=NC(=O)C(N)=C(NCC(=O)C(O)C(O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1 ChemAxon formula C9H18N5O14P3 ChemAxon inchi InChI=1S/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18) ChemAxon inchikey ZJYBJXKSWQPKFW-UHFFFAOYSA-N ChemAxon polar_surface_area 322.88 ChemAxon refractivity 105.24 ChemAxon polarizability 38.94 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Pterine Biosynthesis SMP00005 map00790 Specdb::MsMs 23150 Specdb::MsMs 23151 Specdb::MsMs 23152 Specdb::MsMs 29948 Specdb::MsMs 29949 Specdb::MsMs 29950 Specdb::MsMs 2759792 Specdb::MsMs 2759793 Specdb::MsMs 2759794 Specdb::MsMs 2945532 Specdb::MsMs 2945533 Specdb::MsMs 2945534 Specdb::CMs 9692 Specdb::CMs 39104 Specdb::NmrOneD 91752 Specdb::NmrOneD 91753 Specdb::NmrOneD 91754 Specdb::NmrOneD 91755 Specdb::NmrOneD 91756 Specdb::NmrOneD 91757 Specdb::NmrOneD 91758 Specdb::NmrOneD 91759 Specdb::NmrOneD 91760 Specdb::NmrOneD 91761 Specdb::NmrOneD 91762 Specdb::NmrOneD 91763 Specdb::NmrOneD 91764 Specdb::NmrOneD 91765 Specdb::NmrOneD 91766 Specdb::NmrOneD 91767 Specdb::NmrOneD 91768 Specdb::NmrOneD 91769 Specdb::NmrOneD 91770 Specdb::NmrOneD 91771 HMDB06823 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