MetaCyc Compound: F-dUMP

Synonyms: fluorodeoxyuridylate, 5-fluorodeoxyuridine monophosphate

Chemical Formula: C9H10N2O8FP

Molecular Weight: 324.16 Daltons

Monoisotopic Molecular Weight: 326.03153008239997 Daltons

F-dUMP compound structure

SMILES: C1(N(C(NC(C=1F)=O)=O)C2(OC(C(C2)O)COP([O-])(=O)[O-]))

InChI: InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/p-2/t5-,6+,7?/m0/s1


Unification Links: PubChem:25244711

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -306.45703Inferred by computational analysis [Latendresse13]

Enzymes inhibited by F-dUMP, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: dTMP synthase [Hunter08], flavin-dependent thymidylate synthase [Hunter08]


Hunter08: Hunter JH, Gujjar R, Pang CK, Rathod PK (2008). "Kinetics and ligand-binding preferences of Mycobacterium tuberculosis thymidylate synthases, ThyA and ThyX." PLoS One 3(5);e2237. PMID: 18493582

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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