MetaCyc Compound: 1,3,7-trimethylurate

Synonyms: 1,3,7-trimethyluric acid

Chemical Formula: C8H10N4O3

Molecular Weight: 210.19 Daltons

Monoisotopic Molecular Weight: 210.0752902081 Daltons

1,3,7-trimethylurate compound structure

SMILES: CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N(C)2))

InChI: InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)


Unification Links: ChEBI:691622, ChemSpider:71754, HMDB:HMDB02123, KEGG:C16361, PubChem:79437

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 11.242202Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

caffeine degradation II :
1,3,7-trimethylurate + a methylated methyl donor → 1,3,7,9-tetramethylurate + a demethylated methyl donor

caffeine degradation V (bacteria, via trimethylurate) :
1,3,7-trimethylurate + 2 NADH + oxygen + 2 H+ → 1,3,7-trimethyl-5-hydroxyisourate + 2 NAD+ + H2O

Reactions known to produce the compound:

caffeine degradation II :
caffeine → 1,3,7-trimethylurate

caffeine degradation V (bacteria, via trimethylurate) :
caffeine + oxygen + H2O → 1,3,7-trimethylurate + hydrogen peroxide
caffeine + a ubiquinone + H2O → 1,3,7-trimethylurate + an ubiquinol

Created 29-Jun-2010 by Fulcher CA, SRI International


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 19.5 on Sat Nov 28, 2015, BIOCYC13A.