1.0 2016-09-30 22:42:45 UTC 2020-05-21 16:29:01 UTC BMDB0001227 BMDB01227 5-Thymidylic acid (DT)1 5'-Thymidylic acid 5'-TMP 5-Methyl-dUMP Deoxyribosylthymine monophosphate Ribothymidine 5'-monophosphate Thymidine 5'-(dihydrogen phosphate) Thymidine 5'-phosphate Thymidine 5'-phosphoric acid Thymidine monophosphate Thymidine-5'-monophosphoric acid THYMIDINE-5'-phosphATE Thymidylate Thymidylic acid TMP Deoxythymidine 5'-phosphate Deoxythymidylic acid 5'-Thymidylate Deoxyribosylthymine monophosphoric acid Ribothymidine 5'-monophosphoric acid Thymidine 5'-(dihydrogen phosphoric acid) Thymidine monophosphoric acid Thymidine-5'-monophosphate THYMIDINE-5'-phosphoric acid Deoxythymidine 5'-phosphoric acid Deoxythymidylate 5-Thymidylate 2'-Deoxythymidine 5'-monophosphate 5'-dTMP Deoxy TMP Deoxythymidine 5'-monophosphate Deoxythymidine monophosphate Deoxythymydilate Deoxythymydilic acid dTMP Thymidine 5'-monophosphate Thymidine 5'-phosphorate Thymidine 5'MP Thymidine mononucleotide Thymidine phosphate Thymidine-5'-monophosphorate Thymidylic acids Acids, thymidylic Acid, thymidylic monoPhosphate, thymidine C10H15N2O8P 322.2085 322.056601978 {[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid thymidylate 365-07-1 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 GYOZYWVXFNDGLU-XLPZGREQSA-N belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate 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 monophosphates Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monoalkyl phosphates Organic oxides 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 Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phosphoric acid ester Pyrimidine Pyrimidine 2'-deoxyribonucleoside monophosphate Pyrimidone Secondary alcohol Tetrahydrofuran Urea Vinylogous amide Aromatic heteromonocyclic compounds Deoxyribonucleotides thymidine 5'-monophosphate Solid logp -1.37 ALOGPS logs -1.68 ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 1.23 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac {[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid ChemAxon average_mass 322.2085 ChemAxon mono_mass 322.056601978 ChemAxon smiles CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O ChemAxon formula C10H15N2O8P ChemAxon inchi InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 ChemAxon inchikey GYOZYWVXFNDGLU-XLPZGREQSA-N ChemAxon polar_surface_area 145.63 ChemAxon refractivity 66.28 ChemAxon polarizability 27.46 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 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::NmrTwoD 1058 Specdb::NmrTwoD 1606 Specdb::MsMs 1472 Specdb::MsMs 1473 Specdb::MsMs 1474 Specdb::MsMs 5092 Specdb::MsMs 178533 Specdb::MsMs 178534 Specdb::MsMs 178535 Specdb::MsMs 180852 Specdb::MsMs 180853 Specdb::MsMs 180854 Specdb::MsMs 439111 Specdb::MsMs 2226713 Specdb::MsMs 2227989 Specdb::MsMs 2229069 Specdb::MsMs 2230401 Specdb::MsMs 2231360 Specdb::MsMs 2232828 Specdb::MsMs 2233815 Specdb::MsMs 2235157 Specdb::MsMs 2243231 Specdb::MsMs 2244775 Specdb::MsMs 2245352 Specdb::MsMs 2246815 Specdb::MsMs 2247459 Specdb::MsMs 2248813 Specdb::CMs 2611 Specdb::CMs 32081 Specdb::CMs 32082 Specdb::CMs 37982 Specdb::CMs 99666 Specdb::CMs 99667 Specdb::CMs 135573 Specdb::CMs 143307 Specdb::NmrOneD 1665 Specdb::NmrOneD 4780 Specdb::NmrOneD 146850 Specdb::NmrOneD 146851 Specdb::NmrOneD 146852 Specdb::NmrOneD 146853 Specdb::NmrOneD 146854 Specdb::NmrOneD 146855 Specdb::NmrOneD 146856 Specdb::NmrOneD 146857 Specdb::NmrOneD 146858 Specdb::NmrOneD 146859 Specdb::NmrOneD 146860 Specdb::NmrOneD 146861 Specdb::NmrOneD 146862 Specdb::NmrOneD 146863 Specdb::NmrOneD 146864 Specdb::NmrOneD 146865 Specdb::NmrOneD 146866 Specdb::NmrOneD 146867 Specdb::NmrOneD 146868 Specdb::NmrOneD 146869 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 C00364 DB01643 9319 FDB030840 17013 9700 TMP Thymidine_monophosphate C00019637 34753 6092 Scarano, E. Enzymic formation of thymidylic acid from 5-methyl-5'-deoxycytidylic acid. Bollettino - Societa Italiana di Biologia Sperimentale (1958), 34 945. BMDBP00149 Cytosolic purine 5'-nucleotidase O46411 NT5C2 Enzyme BMDBP00536 Thymidylate synthase Q2TA32 TYMS Enzyme BMDBP02918 Calcium activated nucleotidase 1 E1BGL5 CANT1 Enzyme BMDBP03197 Thymidine kinase, cytosolic A5D7R8 TK1 Enzyme