2.0 2012-10-10 12:23:10 -0600 2015-06-03 17:26:14 -0600 ECMDB23233 M2MDB003623 8-oxo-dGTP 8-oxo-dGTP is a product of oxidative modification of dGTP that can be misincorporated into DNA, causing AT-->CG mutations. 8-Oxo-dG DNA lesions are formed in the cell by reactive oxygen species. These can be present due to normal oxidative metabolic processes such as UV ionizing radiation. (2R,3S,5R)-5-(2-amino-6,8-dioxo-3,7-dihydropurin-9-yl)-3-hydroxyoxolan-2-ylmethoxy-hydroxyphosphoryl phosphono hydrogen phosphate (2R,3S,5R)-5-(2-amino-6,8-dioxo-3,7-Dihydropurin-9-yl)-3-hydroxyoxolan-2-ylmethoxy-hydroxyphosphoryl phosphono hydrogen phosphoric acid 2'-deoxy-7,8-dihydro-8-oxo-Guanosine 5'-(tetrahydrogen triphosphate) 2'-Deoxy-7,8-dihydro-8-oxo-guanosine 5'-(tetrahydrogen triphosphoric acid) 2'-Deoxy-8-oxo-7,8-dihydroguanosine 5'-(tetrahydrogen triphosphate) 2'-Deoxy-8-oxo-7,8-dihydroguanosine 5'-(tetrahydrogen triphosphoric acid) 8-Hydroxy-2'-deoxyguanosine 5'-triphosphate 8-Hydroxy-2'-deoxyguanosine 5'-triphosphoric acid 8-Oxo-2'-deoxyguanosine 5'-triphosphate 8-oxo-2'-Deoxyguanosine 5'-triphosphoric acid 8-oxo-7,8-dihydro-2'-deoxyguanosine 5'-triphosphate 8-oxo-7,8-dihydro-2'-Deoxyguanosine 5'-triphosphoric acid 8-oxo-7,8-dihydro-2'-dGTP 8-Oxo-deoxyguanosine triphosphate 8-oxo-Deoxyguanosine triphosphoric acid 8-Oxo-dGTP 8-oxodeoxyguanosine triphosphate 8-Oxodeoxyguanosine triphosphoric acid C10H16N5O14P3 523.1804 522.990659781 ({[({[(2R,3S,5R)-5-(2-amino-6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid 8-oxo-dGTP 139307-94-1 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C(O)=NC2=C1NC(=N)N=C2O InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1 BUZOGVVQWCXXDP-VPENINKCSA-N Solid logp -0.45 ALOGPS logs -1.68 ALOGPS solubility 1.09e+01 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 0.98 ChemAxon pka_strongest_basic 0.15 ChemAxon iupac ({[({[(2R,3S,5R)-5-(2-amino-6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid ChemAxon average_mass 523.1804 ChemAxon mono_mass 522.990659781 ChemAxon smiles [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C(O)=NC2=C1NC(=N)N=C2O ChemAxon formula C10H16N5O14P3 ChemAxon inchi InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1 ChemAxon inchikey BUZOGVVQWCXXDP-VPENINKCSA-N ChemAxon polar_surface_area 289.1 ChemAxon refractivity 105.51 ChemAxon polarizability 39.1 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1083769 Specdb::MsMs 23342 Specdb::MsMs 23343 Specdb::MsMs 23344 Specdb::MsMs 30140 Specdb::MsMs 30141 Specdb::MsMs 30142 HMDB11615 53481005 C19967 8DG FDB028320 Mutator mutT protein P08337 MUTT_ECOLI mutT http://ecmdb.ca/proteins/P08337.xml 8-oxo-dGTP + Water > 8-oxo-dGMP + Pyrophosphate 8-oxo-dGTP + Water <> 8-oxo-dGMP + Pyrophosphate R09832