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Escherichia coli K-12 substr. MG1655 Compound: dioctylamine

Chemical Formula: C16H36N

Molecular Weight: 242.47 Daltons

Monoisotopic Molecular Weight: 242.2847751608 Daltons

dioctylamine compound structure

SMILES: CCCCCCCC[N+]CCCCCCCC

InChI: InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3/p+1

InChIKey: InChIKey=LAWOZCWGWDVVSG-UHFFFAOYSA-O

Unification Links: ChemSpider:2656364, PubChem:3412413

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): 21.33

Enzymes inhibited by dioctylamine, sorted by the type of inhibition, are:

Inhibitor (Competitive) of: cyclopropane fatty acyl phospholipid synthase [Guianvarch08]

References

Guianvarch08: Guianvarc'h D, Guangqi E , Drujon T, Rey C, Wang Q, Ploux O (2008). "Identification of inhibitors of the E. coli cyclopropane fatty acid synthase from the screening of a chemical library: In vitro and in vivo studies." Biochim Biophys Acta 1784(11);1652-8. PMID: 18501724


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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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