1.0 2016-09-30 22:43:28 UTC 2020-05-21 16:29:01 UTC BMDB0001274 BMDB01274 dTDP 2'-Deoxyribosylthymine 5'-(trihydrogen diphosphate) Deoxy-TDP Deoxythymidine 5'-diphosphate Thymidine 5'-diphosphate Thymidine 5'-pyrophosphate THYMIDINE-5'- diphosphATE 2'-Deoxyribosylthymine 5'-(trihydrogen diphosphoric acid) Deoxythymidine 5'-diphosphoric acid Thymidine 5'-diphosphoric acid Thymidine 5'-pyrophosphoric acid THYMIDINE-5'- diphosphoric acid TDP C10H16N2O11P2 402.1884 402.022932388 {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid dTDP 491-97-4 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 UJLXYODCHAELLY-XLPZGREQSA-N belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine deoxyribonucleotides Pyrimidine 2'-deoxyribonucleoside diphosphates Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monoalkyl phosphates Organic oxides Organic pyrophosphates Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyrimidones Secondary alcohols Tetrahydrofurans Ureas Vinylogous amides Alcohol Alkyl phosphate Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monoalkyl phosphate Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phosphoric acid ester Pyrimidine Pyrimidine 2'-deoxyribonucleoside diphosphate Pyrimidone Secondary alcohol Tetrahydrofuran Urea Vinylogous amide Aromatic heteromonocyclic compounds Deoxyribonucleotides pyrimidine 2'-deoxyribonucleoside 5'-diphosphate thymidine phosphate Solid logp -0.87 ALOGPS logs -1.76 ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 1.77 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid ChemAxon average_mass 402.1884 ChemAxon mono_mass 402.022932388 ChemAxon smiles CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O ChemAxon formula C10H16N2O11P2 ChemAxon inchi InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 ChemAxon inchikey UJLXYODCHAELLY-XLPZGREQSA-N ChemAxon polar_surface_area 192.16 ChemAxon refractivity 77.16 ChemAxon polarizability 32.12 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Pyrimidine Metabolism SMP0087247 Specdb::CMs 14058 Specdb::CMs 38007 Specdb::CMs 163828 Specdb::MsMs 25907 Specdb::MsMs 25908 Specdb::MsMs 25909 Specdb::MsMs 32465 Specdb::MsMs 32466 Specdb::MsMs 32467 Specdb::MsMs 439110 Specdb::MsMs 2792138 Specdb::MsMs 2792139 Specdb::MsMs 2792140 Specdb::MsMs 2917094 Specdb::MsMs 2917095 Specdb::MsMs 2917096 Specdb::NmrOneD 147130 Specdb::NmrOneD 147131 Specdb::NmrOneD 147132 Specdb::NmrOneD 147133 Specdb::NmrOneD 147134 Specdb::NmrOneD 147135 Specdb::NmrOneD 147136 Specdb::NmrOneD 147137 Specdb::NmrOneD 147138 Specdb::NmrOneD 147139 Specdb::NmrOneD 147140 Specdb::NmrOneD 147141 Specdb::NmrOneD 147142 Specdb::NmrOneD 147143 Specdb::NmrOneD 147144 Specdb::NmrOneD 147145 Specdb::NmrOneD 147146 Specdb::NmrOneD 147147 Specdb::NmrOneD 147148 Specdb::NmrOneD 147149 C00363 FDB022528 144320 164628 18075 DB03103 C00019696 34750 Thymidine_diphosphate 6129 TDP Rupprath, Carsten; Kopp, Maren; Hirtz, Dennis; Mueller, Rolf; Elling, Lothar. An enzyme module system for in situ regeneration of deoxythymidine 5'-diphosphate (dTDP)-activated deoxy sugars. Advanced Synthesis & Catalysis (2007), 349(8+9), 1489-1496. BMDBP00437 dTDP-D-glucose 4,6-dehydratase A6QLW2 TGDS Enzyme BMDBP00486 Nucleoside diphosphate kinase 7 Q5E9Y9 NME7 Enzyme BMDBP00536 Thymidylate synthase Q2TA32 TYMS Enzyme BMDBP02918 Calcium activated nucleotidase 1 E1BGL5 CANT1 Enzyme