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- ChemComp-FOT: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: FOT
NameName: 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Synonyms: 5-FLUOROOROTIC ACID

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Chemical information

Composition
Formula: C5H3FN2O4 / Number of atoms: 15 / Formula weight: 174.087 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: FOT / Ideal coordinates details: Corina V3.40
History
Create componentNov 9, 2006
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / CompTox / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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=C(O)C1=C(F)C(=O)NC(=O)N1
CACTVS 3.341OC(=O)C1=C(F)C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C1(=C(NC(=O)NC1=O)C(=O)O)F

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SMILES CANONICAL

CACTVS 3.341OC(=O)C1=C(F)C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C1(=C(NC(=O)NC1=O)C(=O)O)F

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InChI

InChI 1.03InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)

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InChIKey

InChI 1.03SEHFUALWMUWDKS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
OpenEye OEToolkits 1.5.05-fluoro-2,6-dioxo-3H-pyrimidine-4-carboxylic acid

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