Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
twitter

MetaCyc Compound: ametryn sulfoxide

Synonyms: ametryne sulfoxide

Superclasses: an aromatic compound s-triazine

Chemical Formula: C9H17N5OS

Molecular Weight: 243.33 Daltons

Monoisotopic Molecular Weight: 243.11538088380001 Daltons

ametryn sulfoxide compound structure

SMILES: CCNC1(=NC(=NC(=N1)S(=O)C)NC(C)C)

InChI: InChI=1S/C9H17N5OS/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)16(4)15/h6H,5H2,1-4H3,(H2,10,11,12,13,14)

InChIKey: InChIKey=LKFFHIOAQPRPCO-UHFFFAOYSA-N

Unification Links: ChemSpider:138737 , PubChem:157663

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 186.31906 Inferred by computational analysis [Latendresse13]

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


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 Sun Aug 30, 2015, biocyc13.