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- ChemComp-IJZ: 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: IJZ
NameName: 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Synonyms: 5-aminoorotic acid

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Chemical information

Composition
Formula: C5H5N3O4 / Number of atoms: 17 / Formula weight: 171.111 / Formal charge: 0
Others

3mjy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IJZ / Model coordinates PDB-ID: 3MJY
History
Create componentApr 15, 2010
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify synonymsMar 1, 2021
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

CACTVS 3.385NC1=C(NC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.7.5C1(=C(NC(=O)NC1=O)C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385NC1=C(NC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.7.5C1(=C(NC(=O)NC1=O)C(=O)O)N

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InChI

InChI 1.03InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)

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InChIKey

InChI 1.03HWCXJKLFOSBVLH-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-3mjy:
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Aminoorotic acid

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