1.0 2016-09-30 22:38:03 UTC 2020-05-11 20:38:11 UTC BMDB0000884 BMDB00884 Ribothymidine Ribothymidine, also known as 5-methyl-uridine or thymine riboside, 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. Ribothymidine exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. Ribothymidine exists in all living organisms, ranging from bacteria to humans. 1-(beta-D-Ribofuranosyl)thymine Ribosylthymidine t Thymine riboside 1-(b-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 Ribosylthymine Thymine ribofuranoside Thymine ribonucleoside 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. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine nucleosides 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 Aromatic heteromonocyclic compounds methyluridine Solid melting_point 183 - 187 °C logp -1.71 ALOGPS logs -0.28 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 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 Specdb::NmrTwoD 1525 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::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::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 Milk Commercial whole milk with 3.25% fat Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809 Placenta 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 Semen Analysis was performed using GC-MS in Holstein bulls (n = 16). Compound was identified by probable match parameters of the NIST Mass Spectral Search Program Velho ALC, Menezes E, Dinh T, Kaya A, Topper E, Moura AA, Memili E: Metabolomic markers of fertility in bull seminal plasma. PLoS One. 2018 Apr 10;13(4):e0195279. doi: 10.1371/journal.pone.0195279. eCollection 2018. 29634739 FDB022298 393058 445408 45996 CPD-15123 5-methyluridine 5843 Maruyama, Shogo; Kumon, Satoru. 5-Methyluridine manufacture with microorganism. Jpn. Kokai Tokkyo Koho (1996), 6 pp. Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809