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- ChemComp-MUA: 9-METHYL URIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: MUA
NameName: 9-methyl uric acid

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Chemical information

Composition
Formula: C6H6N4O3 / Number of atoms: 19 / Formula weight: 182.137 / Formal charge: 0
Others

1r4s

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MUA / Model coordinates PDB-ID: 1R4S
History
Create componentOct 10, 2003
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C1C2=C(NC(=O)N1)N(C(=O)N2)C
CACTVS 3.341CN1C(=O)NC2=C1NC(=O)NC2=O
OpenEye OEToolkits 1.5.0CN1C2=C(C(=O)NC(=O)N2)NC1=O

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SMILES CANONICAL

CACTVS 3.341CN1C(=O)NC2=C1NC(=O)NC2=O
OpenEye OEToolkits 1.5.0CN1C2=C(C(=O)NC(=O)N2)NC1=O

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InChI

InChI 1.03InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)

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InChIKey

InChI 1.03XJEJWDFDVPDMAS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.049-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
OpenEye OEToolkits 1.5.09-methyl-3,7-dihydropurine-2,6,8-trione

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PDB entries

Showing all 6 items

PDB-1r4s:
URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR 9-METHYL URIC ACID

PDB-4cw0:
Crystal structure of cofactor-free urate oxidase anaerobically complexed with 9-methyl uric acid

PDB-4cw3:
Crystal structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-metyl uric acid (X-ray dose, 665 kGy)

PDB-4cw6:
Crystal structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-metyl uric acid (X-ray dose, 92 kGy)

PDB-5ayj:
Hyperthermostable mutant of Bacillus sp. TB-90 Urate Oxidase - R298C

PDB-6rgt:
Crystal structure of the cofactor-free Aspergillus flavus urate oxidase T57A variant anaerobically complexed with 9-methyl uric acid

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