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Escherichia coli K-12 substr. MG1655 Compound: 2'-methoxythiamin pyrophosphate

Synonyms: MeO-TPP

Chemical Formula: C12H16N4O8P2S

Molecular Weight: 438.29 Daltons

Monoisotopic Molecular Weight: 441.03988231750003 Daltons

SMILES: CC1(=C(CCOP(=O)([O-])OP(=O)([O-])[O-])SC=[N+]1CC2(C(N)=NC(OC)=NC=2))

InChI: InChI=1S/C12H18N4O8P2S/c1-8-10(3-4-23-26(20,21)24-25(17,18)19)27-7-16(8)6-9-5-14-12(22-2)15-11(9)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p-2

InChIKey: InChIKey=PWBCVHDHRGCQHM-UHFFFAOYSA-L

Unification Links: PubChem:46173266

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -413.73

Enzymes inhibited by 2'-methoxythiamin pyrophosphate, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: transketolase [Reddick01]

Credits:
Created 14-Oct-2009 by Kothari A , SRI International


References

Reddick01: Reddick JJ, Saha S, Lee J, Melnick JS, Perkins J, Begley TP (2001). "The mechanism of action of bacimethrin, a naturally occurring thiamin antimetabolite." Bioorg Med Chem Lett 11(17);2245-8. PMID: 11527707


Report Errors or Provide Feedback
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 Mon Dec 22, 2014, BIOCYC13B.