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MetaCyc Compound: trimethylamine N-oxide

Synonyms: TMAO

Chemical Formula: C3H9NO

Monoisotopic Molecular Weight: 75.0684139162 Daltons

trimethylamine <i>N</i>-oxide compound structure

SMILES: CN(=O)(C)C

InChI: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3

InChIKey: InChIKey=UYPYRKYUKCHHIB-UHFFFAOYSA-N

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 48.69009 Inferred by computational analysis [Latendresse13]

This compound has been characterized as an alternative substrate of the following enzymes: dimethyl sulfoxide reductase

Credits:
Created in EcoCyc 11-Nov-2009 by Kothari A , SRI International
Imported from EcoCyc 02-Jun-2015 by Paley S , SRI International


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 19.0 on Mon Aug 3, 2015, BIOCYC14B.