Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: F-dUMP

Synonyms: fluorodeoxyuridylate, 5-fluorodeoxyuridine monophosphate

Chemical Formula: C9H10N2O8FP

Molecular Weight: 324.16 Daltons

Monoisotopic Molecular Weight: 326.03153008239997 Daltons

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

InChIKey: InChIKey=HFEKDTCAMMOLQP-GFCOJPQKSA-L

Unification Links: PubChem:25244711

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -306.45703 Inferred 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]


References

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."


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Sun Nov 23, 2014, BIOCYC13B.