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Thymine riboside

PubChem CID: 445408

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Compound Synonyms 5-Methyluridine, 1463-10-1, Ribothymidine, Thymine riboside, Uridine, 5-methyl-, Ribosylthymine, ribosylthymidine, 1-(beta-D-ribofuranosyl)thymine, beta-D-Ribofuranoside, Thymine ribofuranoside, CHEBI:45996, EINECS 215-973-9, MFCD00006535, ZS1409014A, THYMINE RIBOSIDE [MI], 5-methyl-Uridine, DTXSID20163348, THYMINE RIBOSIDE, (-)-, 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, PYRIMIDINEDIONE, 5-METHYL-1-.BETA.-D-RIBOFURANOSYL-, 1-.BETA.-D-RIBOFURANOSYLTHYMINE 2,4(1H,3H)-PYRIMIDINEDIONE, 5-METHYL-1-.BETA.-D-RIBOFURANOSYL-, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione, 1-[(4S,2R,3R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-dihydropyrimidine-2,4-dione, 5MU-5MU-5MU, UNII-ZS1409014A, 5-Methyl Uridine, 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 38T, 5-methyl-d-uridine, Thymine ribonucleoside, beta-delta-Ribofuranoside, 5-Methyluridine, 97%, bmse000759, Epitope ID:141497, 1-b-D-Ribofuranosylthymine, SCHEMBL29298, b-D-Ribofuranoside thymine-1, .beta.-D-Ribofuranosylthymine, CHEMBL106175, DTXCID9085839, 1-.beta.-D-Ribofuranosylthymine, CHEBI:30821, 1-beta-delta-Ribofuranosylthymine, beta-delta-Ribofuranoside thymine-1, .beta.-D-Ribofuranoside, thymine-1, s6156, STL507242, thymine-1 beta-D-Ribofuranosylthymine, AKOS015896830, AC-8172, CS-W010160, HY-W009444, NM04922, thymine-1 beta-delta-Ribofuranosylthymine, BP-58644, DS-18476, PD099507, DB-030334, DB-306748, M1405, NS00024786, EN300-2009864, Q425078, Z3037473449, PYRIMIDINEDIONE, 5-METHYL-1-BETA-D-RIBOFURANOSYL-, 5-methyl-1-beta-D-ribofuranosyl-2,4(1H,3H)-Pyrimidinedione, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-.beta.-D-ribofuranosyl-, 5-methyl-1-beta-delta-ribofuranosyl-2,4(1H,3H)-Pyrimidinedione, 1-BETA-D-RIBOFURANOSYLTHYMINE 2,4(1H,3H)-PYRIMIDINEDIONE, 5-METHYL-1-BETA-D-RIBOFURANOSYL-, 215-973-9
Topological Polar Surface Area 119.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 18.0
Description 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]
Isotope Atom Count 0.0
Molecular Complexity 409.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Enzyme Uniprot Id Q96GJ1
Uniprot Id Q6PL18
Iupac Name 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Prediction Hob 1.0
Xlogp -1.6
Molecular Formula C10H14N2O6
Prediction Swissadme 1.0
Inchi Key DWRXFEITVBNRMK-JXOAFFINSA-N
Fcsp3 0.6
Logs -0.589
Rotatable Bond Count 2.0
State Solid
Logd -1.328
Synonyms 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
Compound Name Thymine riboside
Prediction Hob Swissadme 1.0
Exact Mass 258.085
Formal Charge 0.0
Monoisotopic Mass 258.085
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 258.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -1.3036926666666662
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
Smiles CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Anethum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Dracunculus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Astilbe Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Boronia Muelleri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Cassia Carnaval (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Colchicum Macedonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Coprosma Acerosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Coptis Deltoidea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Cranfillia Vulcanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Dalbergia Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Dicliptera Riparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Dillenia Papuana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Euphorbia Caducifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Ficus Elastica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Hypericum Papuanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Ilex Kaushue (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Inula Thapsoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Kaunia Arbuscularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Limeum Pterocarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Lupinus Formosus (Plant) Rel Props:Source_db:npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Oxandra Xylopioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Palicourea Alpina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Persicaria Thunbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Posoqueria Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Rhodomyrtus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Salix Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Salvia Xalapensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Sambucus Ebulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Scrophularia Smithii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Tanacetum Santolinoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Tylophora Flava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Wunderlichia Mirabilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Zilla Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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