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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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Escherichia coli K-12 substr. MG1655 Compound: (S)-4-amino-4,5-dihydro-2-thiophenecarboxylate

Synonyms: (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid, SADTA

Citations: [Fu99]

Chemical Formula: C5H7NO2S

Molecular Weight: 145.18 Daltons

Monoisotopic Molecular Weight: 145.0197491641 Daltons

SMILES: C1(SC(C(=O)[O-])=C[CH]([N+])1)

InChI: InChI=1S/C5H7NO2S/c6-3-1-4(5(7)8)9-2-3/h1,3H,2,6H2,(H,7,8)/t3-/m0/s1

InChIKey: InChIKey=UPSMRUXNZUWKMB-VKHMYHEASA-N

Unification Links: ChemSpider:18552670 , PubChem:13457809

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -72.23

Enzymes inhibited by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylate, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: aspartate transaminase [Liu07b]

Credits:
Created 14-Jan-2010 by Fulcher C , SRI International


References

Fu99: Fu M, Nikolic D, Van Breemen RB, Silverman RB (1999). "Mechanism of inactivation of γ-aminobutyric acid aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid." J. Am. Chem. Soc. 121, 7751-7759.

Liu07b: Liu D, Pozharski E, Lepore BW, Fu M, Silverman RB, Petsko GA, Ringe D (2007). "Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms"." Biochemistry 46(37);10517-27. PMID: 17713924


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 Sun Dec 21, 2014, biocyc14.