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> Main
CHEBI:68447 - 1,3-dimethyluric acid
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ChEBI Name
1,3-dimethyluric acid
ChEBI ID
CHEBI:68447
Definition
An oxopurine that is 7,9-dihydro-1
H
-purine-2,6,8(3
H
)-trionesubstituted by methyl groups at N-1 and N-3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H8N4O3
Net Charge
0
Average Mass
196.16340
Monoisotopic Mass
196.05964
InChI
InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)
InChIKey
OTSBKHHWSQYEHK-UHFFFAOYSA-N
SMILES
Cn1c2[nH]c(=O)[nH]c2c(=O)n(C)c1=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1,3-dimethyluric acid (
CHEBI:68447
)
has functional parent
7,9-dihydro-1
H
-purine-2,6,8(3
H
)-trione (
CHEBI:17775
)
1,3-dimethyluric acid (
CHEBI:68447
)
has role
metabolite (
CHEBI:25212
)
1,3-dimethyluric acid (
CHEBI:68447
)
is a
oxopurine (
CHEBI:25810
)
1,3-dimethyluric acid (
CHEBI:68447
)
is conjugate acid of
1,3-dimethylurate anion (
CHEBI:133726
)
Incoming
1,3-dimethylurate anion (
CHEBI:133726
)
is conjugate base of
1,3-dimethyluric acid (
CHEBI:68447
)
IUPAC Name
1,3-dimethyl-7,9-dihydro-1
H
-purine-2,6,8(3
H
)-trione
Synonym
Source
oxytheophylline
MetaCyc
Manual Xrefs
Databases
CPD-14118
MetaCyc
HMDB0001857
HMDB
View more database links
Registry Numbers
Types
Sources
193698
Reaxys Registry Number
Reaxys
944-73-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
12 October 2016