OntologieschebiclassesCHEBI:68449   
JSON document
1,7-dimethyluric acid
http://purl.obolibrary.org/obo/CHEBI_68449

An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-1 and N-7. It is a metabolite of caffeine and is often found in human urine samples.

Also appears inslmfobi
Exact Synonyms
1,7-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
class Information
charge

0

formula

C7H8N4O3

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)

inchikey

NOFNCLGCUJJPKU-UHFFFAOYSA-N

in_subset

3_STAR

mass

196.16340

monoisotopicmass

196.05964

smiles

Cn1c2c([nH]c1=O)[nH]c(=O)n(C)c2=O

class Relations