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Escherichia coli K-12 substr. MG1655 Compound: 4-chloro-7-nitrobenzo-2-oxa-1,3-diazole

Synonyms: NBD chloride, 4-chloro-7-nitrobenzofurazan, 7-chloro-4-nitrobenzofurazan, chloronitrobenzoxadiazole

Superclasses: a nitrohydrocarbona C-nitro compound

Chemical Formula: C6H2N3O3Cl

Molecular Weight: 199.55 Daltons

Monoisotopic Molecular Weight: 199.9862936882 Daltons

4-chloro-7-nitrobenzo-2-oxa-1,3-diazole compound structure

SMILES: C2(=C(Cl)C1(=NON=C1C([N+](=O)[O-])=C2))

InChI: InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H

InChIKey: InChIKey=IGHBXJSNZCFXNK-UHFFFAOYSA-N

Unification Links: ChEBI:78878, ChemSpider:23406, PubChem:25043

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): -72.73

Enzymes inhibited by 4-chloro-7-nitrobenzo-2-oxa-1,3-diazole, sorted by the type of inhibition, are:

Inhibitor (Irreversible) of: pyridine nucleotide transhydrogenase [Bragg99] Inhibitor (Mechanism unknown) of: ATP synthase [Senior90]

References

Bragg99: Bragg PD, Hou C (1999). "Effect of NBD chloride (4-chloro-7-nitrobenzo-2-oxa-1,3-diazole) on the pyridine nucleotide transhydrogenase of Escherichia coli." Biochim Biophys Acta 1999;1413(3);159-71. PMID: 10556628

Senior90: Senior AE (1990). "The proton-translocating ATPase of Escherichia coli." Annu Rev Biophys Biophys Chem 19;7-41. PMID: 2141983


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Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
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