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MetaCyc Compound: ametryn

Synonyms: ametryne

Superclasses: an aromatic compound s-triazine

Chemical Formula: C9H17N5S

Molecular Weight: 227.33 Daltons

Monoisotopic Molecular Weight: 227.12046626170002 Daltons

ametryn compound structure

SMILES: CCNC1(=NC(=NC(=N1)SC)NC(C)C)

InChI: InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)

InChIKey: InChIKey=RQVYBGPQFYCBGX-UHFFFAOYSA-N

Unification Links: ChEBI:22472 , ChemSpider:12705 , KEGG:C18700 , PubChem:13263 , UMBBD-Compounds:c0260

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 227.88905 Inferred by computational analysis [Latendresse13]

This compound has been characterized as an alternative substrate of the following enzymes: triazine hydrolase , triazine hydrolase


References

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


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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 Thu May 28, 2015, biocyc14.