2.02012-08-09 09:25:09 -06002015-06-03 17:21:39 -0600ECMDB21501M2MDB0018965-Methyldeoxycytidine triphosphate5-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'-triphosphate5-Methyl deoxycytidine-5'-triphosphoric acid5-Methyl deoxycytidine-triphosphate5-Methyl deoxycytidine-triphosphoric acid5-Methyl-2'-deoxycytidine 5'-triphosphate5-Methyl-2'-deoxycytidine 5'-triphosphoric acid5-Methyl-dCTP5-Methyldeoxycytidine triphosphate5-Methyldeoxycytidine triphosphoric acidC10H18N3O13P3481.1835481.005247213{[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 acid22003-12-9[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=C1OInChI=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/s1NGYHUCPPLJOZIX-XLPZGREQSA-NCytoplasmlogp-0.80logs-1.78solubility8.07e+00 g/llogp-3pka_strongest_acidic0.89pka_strongest_basic2.27iupac{[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 acidaverage_mass481.1835mono_mass481.005247213smiles[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=C1OformulaC10H18N3O13P3inchiInChI=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/s1inchikeyNGYHUCPPLJOZIX-XLPZGREQSA-Npolar_surface_area248.96refractivity101.42polarizability37.01rotatable_bond_count8acceptor_count13donor_count7physiological_charge-3formal_charge0Specdb::CMs1083687Specdb::NmrOneD281659Specdb::NmrOneD281660Specdb::NmrOneD281661Specdb::NmrOneD281662Specdb::NmrOneD281663Specdb::NmrOneD281664Specdb::NmrOneD281665Specdb::NmrOneD281666Specdb::NmrOneD281667Specdb::NmrOneD281668Specdb::NmrOneD281669Specdb::NmrOneD281670Specdb::NmrOneD281671Specdb::NmrOneD281672Specdb::NmrOneD281673Specdb::NmrOneD281674Specdb::NmrOneD281675Specdb::NmrOneD281676Specdb::NmrOneD281677Specdb::NmrOneD281678Specdb::MsMs25166Specdb::MsMs25167Specdb::MsMs25168Specdb::MsMs31724Specdb::MsMs31725Specdb::MsMs3172616137614175661766523van 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 370:17-25.17765195CTP pyrophosphohydrolaseP77788NUDG_ECOLInudGhttp://ecmdb.ca/proteins/P77788.xml