Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
early discounted registration
ends Feb 21th, 2015
Metabolic Modeling Tutorial
early discounted registration
ends Feb 21th, 2015
Metabolic Modeling Tutorial
early discounted registration
ends Feb 21th, 2015
Metabolic Modeling Tutorial
early discounted registration
ends Feb 21th, 2015
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MetaCyc Compound: 2-hydroxy-4-isopropylamino-6-amino-s-triazine

Superclasses: an aromatic compound s-triazine

Chemical Formula: C6H11N5O

Molecular Weight: 169.19 Daltons

Monoisotopic Molecular Weight: 169.0963600012 Daltons

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: ChemSpider:96906 , PubChem:107740

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 113.21232 Inferred 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 SRI International Pathway Tools version 18.5 on Mon Jan 26, 2015, biocyc12.