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MetaCyc Compound: 2-hydroxy-4-isopropylamino-6-amino-s-triazine

Superclasses: an aromatic compounds-triazine

Chemical Formula: C6H11N5O

Molecular Weight: 169.19 Daltons

Monoisotopic Molecular Weight: 169.0963600012 Daltons

2-hydroxy-4-isopropylamino-6-amino-<i>s</i>-triazine compound structure

SMILES: CC(NC1(N=C(N)N=C(N=1)O))C

InChI: InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12)

InChIKey: InChIKey=GCKLGRUZDXSATG-UHFFFAOYSA-N

Unification Links: ChEBI:83463, ChemSpider:96906, PubChem:107740

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): 113.21232Inferred by computational analysis [Latendresse13]

In Reactions of unknown directionality:

Not in pathways:
deethylatrazine + H2O = 2-hydroxy-4-isopropylamino-6-amino-s-triazine + chloride + H+


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 Pathway Tools version 19.5 (software by SRI International) on Sat Feb 13, 2016, biocyc14.