1.0 2011-09-21 00:11:44 UTC 2019-11-26 03:21:02 UTC FDB022298 Ribothymidine Ribothymidine is an endogenous methylated nucleoside found in human fluids; methylated purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls.DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. When chemical bonds to DNA, the DNA becomes damaged and proper and complete replication cannot occur to make the normal intended cell. A DNA adduct is an abnormal piece of DNA covalently-bonded to a cancer-causing chemical. This has shown to be the start of a cancerous cell, or carcinogenesis. DNA adducts in scientific experiments are used as bio-markers and as such are themselves measured to reflect quantitatively, for comparison, the amount of cancer in the subject. (PMID: 3506820, 17044778, 17264127, 16799933) [HMDB] 1-(b-D-Ribofuranosyl)thymine 1-(beta-D-Ribofuranosyl)thymine 1-(β-D-ribofuranosyl)thymine 1-b-D-Ribofuranosylthymine 1-beta-delta-Ribofuranosylthymine 5-methyl-1-beta-D-ribofuranosyl-2,4(1H,3H)-Pyrimidinedione 5-methyl-1-beta-delta-ribofuranosyl-2,4(1H,3H)-Pyrimidinedione 5-methyl-Uridine 5-Methyluridine b-D-Ribofuranoside thymine-1 beta-D-Ribofuranoside beta-delta-Ribofuranoside beta-delta-Ribofuranoside thymine-1 Ribosylthymidine Ribosylthymine Ribothymidine Thymine ribofuranoside Thymine ribonucleoside Thymine riboside thymine-1 beta-D-Ribofuranosylthymine thymine-1 beta-delta-Ribofuranosylthymine C10H14N2O6 258.228 258.08518619 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione thymidin 1463-10-1 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1 DWRXFEITVBNRMK-JXOAFFINSA-N belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. Pyrimidine nucleosides Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Aromatic heteromonocyclic compounds Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Pyrimidones Secondary alcohols Tetrahydrofurans Ureas Vinylogous amides Alcohol Aromatic heteromonocyclic compound Azacycle Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monosaccharide N-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Pyrimidine Pyrimidine nucleoside Pyrimidone Secondary alcohol Tetrahydrofuran Urea Vinylogous amide methyluridine Solid logp -1.71 ALOGPS logs -0.28 ALOGPS solubility 1.35e+02 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 9.95 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon average_mass 258.228 ChemAxon mono_mass 258.08518619 ChemAxon smiles CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O ChemAxon formula C10H14N2O6 ChemAxon inchi InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1 ChemAxon inchikey DWRXFEITVBNRMK-JXOAFFINSA-N ChemAxon polar_surface_area 119.33 ChemAxon refractivity 56.92 ChemAxon polarizability 24.1 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1525 Specdb::CMs 14227 Specdb::CMs 37824 Specdb::CMs 158263 Specdb::CMs 1080936 Specdb::CMs 1080938 Specdb::CMs 1080940 Specdb::CMs 1080943 Specdb::CMs 1080944 Specdb::CMs 1080946 Specdb::CMs 1080948 Specdb::CMs 1080950 Specdb::CMs 1080952 Specdb::CMs 1080954 Specdb::CMs 1080956 Specdb::CMs 1080958 Specdb::CMs 1080959 Specdb::CMs 1080961 Specdb::CMs 1080963 Specdb::CMs 1080965 Specdb::CMs 1080967 Specdb::CMs 1080969 Specdb::CMs 1080970 Specdb::CMs 1080972 Specdb::CMs 1080974 Specdb::CMs 1080976 Specdb::MsMs 1247 Specdb::MsMs 1248 Specdb::MsMs 1249 Specdb::MsMs 297373 Specdb::MsMs 297374 Specdb::MsMs 297375 Specdb::MsMs 338884 Specdb::MsMs 338885 Specdb::MsMs 338886 Specdb::MsMs 2227324 Specdb::MsMs 2227413 Specdb::MsMs 2229715 Specdb::MsMs 2229746 Specdb::MsMs 2234355 Specdb::MsMs 2236483 Specdb::MsMs 2236909 Specdb::MsMs 2238561 Specdb::MsMs 2239002 Specdb::MsMs 2240680 Specdb::MsMs 2242767 Specdb::MsMs 2243055 Specdb::MsMs 2343683 Specdb::MsMs 2343684 Specdb::MsMs 2343685 Specdb::MsMs 2595238 Specdb::NmrOneD 1583 Specdb::NmrOneD 145690 Specdb::NmrOneD 145691 Specdb::NmrOneD 145692 Specdb::NmrOneD 145693 Specdb::NmrOneD 145694 Specdb::NmrOneD 145695 Specdb::NmrOneD 145696 Specdb::NmrOneD 145697 Specdb::NmrOneD 145698 Specdb::NmrOneD 145699 Specdb::NmrOneD 145700 Specdb::NmrOneD 145701 Specdb::NmrOneD 145702 Specdb::NmrOneD 145703 Specdb::NmrOneD 145704 Specdb::NmrOneD 145705 Specdb::NmrOneD 145706 Specdb::NmrOneD 145707 Specdb::NmrOneD 145708 Specdb::NmrOneD 145709 HMDB00884 30821 #<Reference:0x000055ce31e2a7c0> #<Reference:0x000055ce31e2a608> #<Reference:0x000055ce31e2a450> #<Reference:0x000055ce31e2a298> #<Reference:0x000055ce31e2a090> #<Reference:0x000055ce31e29ed8> #<Reference:0x000055ce31e29d20> #<Reference:0x000055ce31e29b68> #<Reference:0x000055ce31e299b0> #<Reference:0x000055ce31e297d0> 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 Milk (Cow) Type 2 specific 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 tRNA (uracil(54)-C(5))-methyltransferase homolog Q96GJ1 TRMT2B