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- ChemComp-G5Y: 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: G5Y
NameName: 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid

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Chemical information

Composition
Formula: C6H4O5 / Number of atoms: 15 / Formula weight: 156.093 / Formal charge: 0
Others

6dcz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: G5Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6DCZ
History
Create componentMay 9, 2018
Initial releaseNov 7, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / HMDB / PubChem / 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 12.01O=C(O)C=1OC=CC(C=1O)=O
CACTVS 3.385OC(=O)C1=C(O)C(=O)C=CO1
OpenEye OEToolkits 2.0.6C1=COC(=C(C1=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)C1=C(O)C(=O)C=CO1
OpenEye OEToolkits 2.0.6C1=COC(=C(C1=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H4O5/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2,8H,(H,9,10)

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InChIKey

InChI 1.03XZUDOWCTKOXYCZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
OpenEye OEToolkits 2.0.63-oxidanyl-4-oxidanylidene-pyran-2-carboxylic acid

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PDB entries

Showing all 1 items

PDB-6dcz:
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid

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