OntologiesslmclassesCHEBI:68441   
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1-methyluric acidImported
http://purl.obolibrary.org/obo/CHEBI_68441

An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by a methyl group at N-1. It is one of the metabolites of caffeine found in human urine.

Defined bychebi
Also appears infobi
Exact Synonyms
1-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
class Information
charge

0

formula

C6H6N4O3

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)

inchikey

QFDRTQONISXGJA-UHFFFAOYSA-N

in_subset

3_STAR

mass

182.13680

monoisotopicmass

182.04399

smiles

Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O

class Relations