1.0 2011-09-21 00:18:05 UTC 2015-10-09 22:30:45 UTC FDB022695 Thymidine 3',5'-cyclic monophosphate Thymidine 3',5'-cyclic monophosphate is an intermediate in the Pyrimidine metabolism. Is the product or substrate of the enzymes Thymidylate synthase (EC 2.1.1.45), Thymidylate synthase (FAD) (EC 2.1.1.148), Thymidine kinase (EC 2.7.1.21), AMP-thymidine kinase (EC 2.7.1.114), ADP-thymidine kinase (EC 2.7.1.118), dTMP kinase (EC 2.7.4.9), T2-induced deoxynucleotide kinase (EC 2.7.4.12), 5'-nucleotidase (EC 3.1.3.5), Thymidylate 5'-phosphatase (EC 3.1.3.35), and ATP-diphosphatase (EC 3.6.1.5). (KEGG) [HMDB] 3',5'-Cyclic thymidine monoate 3',5'-Cyclic thymidine monophosphate 3',5'-Cyclic TMP 4H-Furo[3,2-D]-1,3,2-dioxaorin thymidine deriv. 4H-Furo[3,2-d]-1,3,2-dioxaphosphorin thymidine deriv. cTMP Cyclic 3',5'-dTMP Cyclic 3',5'-thymidylate Cyclic 3',5'-thymidylic acid Cyclic TMP Thymidine 3,5-cyclic monoate sodium salt Thymidine 3,5-cyclic monophosphate sodium salt Thymidine 3',5'-cyclic monoate Thymidine 3',5'-cyclic monophosphate Thymidine 3',5'-cyclic monophosphic acid Thymidine ate (cyclic) Thymidine cyclic 3',5'-ate Thymidine cyclic 3',5'-phosphate Thymidine cycloate Thymidine cyclophosphate Thymidine phosphate (cyclic) C10H13N2O7P 304.1932 304.046037292 1-[(6R)-2-hydroxy-2-oxo-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione 1-[(6R)-2-hydroxy-2-oxo-tetrahydro-4H-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methyl-3H-pyrimidine-2,4-dione 6453-60-7 CC1=CN([C@H]2CC3OP(O)(=O)OCC3O2)C(=O)NC1=O InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6?,7?,8-/m1/s1 QSJFDOVQWZVUQG-KAVNDROISA-N belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Pyrimidones Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Organic oxides Organic phosphoric acids and derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Tetrahydrofurans Ureas Vinylogous amides Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrimidone Tetrahydrofuran Urea Vinylogous amide Solid logp -0.91 ALOGPS logs -1.31 ALOGPS solubility 1.49e+01 g/l ALOGPS logp -0.35 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1-[(6R)-2-hydroxy-2-oxo-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon average_mass 304.1932 ChemAxon mono_mass 304.046037292 ChemAxon smiles CC1=CN([C@H]2CC3OP(O)(=O)OCC3O2)C(=O)NC1=O ChemAxon formula C10H13N2O7P ChemAxon inchi InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6?,7?,8-/m1/s1 ChemAxon inchikey QSJFDOVQWZVUQG-KAVNDROISA-N ChemAxon polar_surface_area 114.4 ChemAxon refractivity 62.51 ChemAxon polarizability 25.51 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1677 Specdb::CMs 24291 Specdb::CMs 146315 Specdb::NmrOneD 1736 Specdb::NmrOneD 102518 Specdb::NmrOneD 102519 Specdb::NmrOneD 102520 Specdb::NmrOneD 102521 Specdb::NmrOneD 102522 Specdb::NmrOneD 102523 Specdb::NmrOneD 102524 Specdb::NmrOneD 102525 Specdb::NmrOneD 102526 Specdb::NmrOneD 102527 Specdb::NmrOneD 102528 Specdb::NmrOneD 102529 Specdb::NmrOneD 102530 Specdb::NmrOneD 102531 Specdb::NmrOneD 102532 Specdb::NmrOneD 102533 Specdb::NmrOneD 102534 Specdb::NmrOneD 102535 Specdb::NmrOneD 102536 Specdb::NmrOneD 102537 Specdb::MsMs 319792 Specdb::MsMs 319793 Specdb::MsMs 319794 Specdb::MsMs 367015 Specdb::MsMs 367016 Specdb::MsMs 367017 Specdb::MsMs 2462832 Specdb::MsMs 2462833 Specdb::MsMs 2462834 Specdb::MsMs 2499251 Specdb::MsMs 2499252 Specdb::MsMs 2499253 HMDB01570 #<Reference:0x000055ce31a0a898> #<Reference:0x000055ce31a0a6e0> #<Reference:0x000055ce31a0a528> #<Reference:0x000055ce31a0a370> #<Reference:0x000055ce31a0a1b8> #<Reference:0x000055ce31a0a000> #<Reference:0x000055ce31a09e48> #<Reference:0x000055ce31a09c90> #<Reference:0x000055ce31a09ad8> #<Reference:0x000055ce31a09920> #<Reference:0x000055ce31a09768> #<Reference:0x000055ce31a095b0> #<Reference:0x000055ce31a093f8> #<Reference:0x000055ce31a09240> #<Reference:0x000055ce31a09088> #<Reference:0x000055ce31a08ed0> #<Reference:0x000055ce31a08d18> 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 Cytosolic 5'-nucleotidase 3 Q9H0P0 NT5C3 Thymidylate kinase P23919 DTYMK