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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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Escherichia coli K-12 substr. MG1655 Compound: pyrithiamine phosphate

Synonyms: 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethyl phosphono hydrogen phosphate

Chemical Formula: C14H18N4O4P

Molecular Weight: 337.29 Daltons

Monoisotopic Molecular Weight: 339.12221666119996 Daltons

SMILES: CC2(C(=CC=C[N+](CC1(=CN=C(C)N=C1N))=2)CCOP(=O)([O-])[O-])

InChI: InChI=1S/C14H19N4O4P/c1-10-12(5-7-22-23(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H3-,15,16,17,19,20,21)/p-1

InChIKey: InChIKey=NEWJDFMMVWTGEX-UHFFFAOYSA-M

Unification Links: PubChem:25203007

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -173.39

Enzymes inhibited by pyrithiamine phosphate, sorted by the type of inhibition, are:

Inhibitor (Competitive) of: thiamin monophosphate kinase [Nishino72]


References

Nishino72: Nishino H (1972). "Biogenesis of cocarboxylase in Escherichia coli. Partial purification and some properties of thiamine monophosphate kinase." J Biochem (Tokyo) 1972;72(5);1093-100. PMID: 4567662


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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 SRI International Pathway Tools version 18.5 on Sat Dec 20, 2014, BIOCYC13B.