1-methyluric acidImported
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
- CAS:708-79-2
- HMDB:HMDB0003099
- KEGG:C16359
- MetaCyc:CPD-14119
- PMID:15537072
- PMID:22770225
- Reaxys:195190
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
mass
182.13680
monoisotopicmass
182.04399
smiles
Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O
class Relations
Subclass of
Related from
is conjugate base of