1-Methyluric acid

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Systematic / IUPAC Name: 1-Methyl-7,9-dihydro-3H-purine-2,6,8-trione

ID: Reference126

Other Names: 1-Methyl-2,6,8-trihydroxypurine;
1-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione;
7,9-Dihydro-1-methyl-1H-purine-2,6,8(3H)-trione;
1-Methylurate

Formula: C6H6N4O3

Class: Endogenous Metabolites

Spectral Data

1-Methyluric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 280
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2014 1:34:45 PM
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Identificators

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)
InChI Key QFDRTQONISXGJA-UHFFFAOYSA-N
Canonical SMILES CN1C(=O)C2=C(NC(=O)N2)NC1=O
CAS 708792
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Other Names 1-Methyl-2,6,8-trihydroxypurine;
1-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione;
7,9-Dihydro-1-methyl-1H-purine-2,6,8(3H)-trione;
1-Methylurate

In Other Databases

PubChem 69726
HMDb HMDB03099
ChemIDPlus 000708792
ChemSpider 62926
KEGG C16359
ChEBI CHEBI:68441
ChEMBL CHEMBL793