2.0 2012-08-09 09:25:09 -0600 2015-06-03 17:21:39 -0600 ECMDB21501 M2MDB001896 5-Methyldeoxycytidine triphosphate 5-methyldeoxycytidine triphosphate is a member of the chemical class known as Pyrimidine 2'-deoxyribonucleoside Triphosphates. These are pyrimidine nucleotides with a triphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2. This is a methylated form of dCTP. Methylation of nucleotides and nucleosides can occur spontaneously through the action of alkylating reagents. 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE) 2'-DEOXY-5-methylcytidine 5'-(tetrahydrogen triphosphoric acid) 5-Methyl deoxycytidine-5'-triphosphate 5-Methyl deoxycytidine-5'-triphosphoric acid 5-Methyl deoxycytidine-triphosphate 5-Methyl deoxycytidine-triphosphoric acid 5-Methyl-2'-deoxycytidine 5'-triphosphate 5-Methyl-2'-deoxycytidine 5'-triphosphoric acid 5-Methyl-dCTP 5-Methyldeoxycytidine triphosphate 5-Methyldeoxycytidine triphosphoric acid C10H18N3O13P3 481.1835 481.005247213 {[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(2-hydroxy-4-imino-5-methyl-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid [hydroxy({hydroxy[(2R,3S,5R)-3-hydroxy-5-(2-hydroxy-4-imino-5-methylpyrimidin-1-yl)oxolan-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid 22003-12-9 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=C(C)C(=N)N=C1O InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 NGYHUCPPLJOZIX-XLPZGREQSA-N Cytoplasm logp -0.80 ALOGPS logs -1.78 ALOGPS solubility 8.07e+00 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic 0.89 ChemAxon pka_strongest_basic 2.27 ChemAxon iupac {[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(2-hydroxy-4-imino-5-methyl-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid ChemAxon average_mass 481.1835 ChemAxon mono_mass 481.005247213 ChemAxon smiles [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=C(C)C(=N)N=C1O ChemAxon formula C10H18N3O13P3 ChemAxon inchi InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 ChemAxon inchikey NGYHUCPPLJOZIX-XLPZGREQSA-N ChemAxon polar_surface_area 248.96 ChemAxon refractivity 101.42 ChemAxon polarizability 37.01 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1083687 Specdb::NmrOneD 281659 Specdb::NmrOneD 281660 Specdb::NmrOneD 281661 Specdb::NmrOneD 281662 Specdb::NmrOneD 281663 Specdb::NmrOneD 281664 Specdb::NmrOneD 281665 Specdb::NmrOneD 281666 Specdb::NmrOneD 281667 Specdb::NmrOneD 281668 Specdb::NmrOneD 281669 Specdb::NmrOneD 281670 Specdb::NmrOneD 281671 Specdb::NmrOneD 281672 Specdb::NmrOneD 281673 Specdb::NmrOneD 281674 Specdb::NmrOneD 281675 Specdb::NmrOneD 281676 Specdb::NmrOneD 281677 Specdb::NmrOneD 281678 Specdb::MsMs 25166 Specdb::MsMs 25167 Specdb::MsMs 25168 Specdb::MsMs 31724 Specdb::MsMs 31725 Specdb::MsMs 31726 161376 141756 61766 523 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 CTP pyrophosphohydrolase P77788 NUDG_ECOLI nudG http://ecmdb.ca/proteins/P77788.xml