1,7-dimethyluric acid
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.
Exact Synonyms
1,7-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
class Information
charge
0
formula
C7H8N4O3
has_dbxref
- CAS:33868-03-0
- HMDB:HMDB0011103
- KEGG:C16356
- MetaCyc:CPD-12483
- PMID:15537072
- PMID:22770225
- Reaxys:219682
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
mass
196.16340
monoisotopicmass
196.05964
smiles
Cn1c2c([nH]c1=O)[nH]c(=O)n(C)c2=O
class Relations
Subclass of
Related from
is conjugate base of