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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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 Wed Nov 26, 2014, BIOCYC14B.