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Escherichia coli K-12 substr. MG1655 Compound: 5-mercaptodeoxyuridine

Superclasses: an organic heterocyclic compoundan organonitrogen heterocyclic compounda diazinea pyrimidine

Chemical Formula: C9H11N2O5S

Molecular Weight: 259.26 Daltons

Monoisotopic Molecular Weight: 260.0466921961 Daltons

5-mercaptodeoxyuridine compound structure

SMILES: C(O)C1(C(O)CC(O1)N2(C=C([S-])C(=O)NC(=O)2))

InChI: InChI=1S/C9H12N2O5S/c12-3-5-4(13)1-7(16-5)11-2-6(17)8(14)10-9(11)15/h2,4-5,7,12-13,17H,1,3H2,(H,10,14,15)/p-1/t4-,5+,7+/m0/s1

InChIKey: InChIKey=NYTIUBZWEKOZRY-HBPOCXIASA-M

Unification Links: PubChem:46926142

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): -139.72

This compound has been characterized as an alternative substrate of the following enzymes: thymidine kinase


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Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by Pathway Tools version 19.5 (software by SRI International) on Sat Feb 13, 2016, biocyc13.