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- ChemComp-5HN: 5-hydroxypyridine-3-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 5HN
NameName: 5-hydroxypyridine-3-carboxylic acid / Synonyms: 5-Hydroxynicotinic Acid

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Chemical information

Composition
Formula: C6H5NO3 / Number of atoms: 15 / Formula weight: 139.109 / Formal charge: 0
Others

4h2q

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5HN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4H2Q
History
Create componentOct 1, 2012
Initial releaseSep 18, 2013
Modify synonymsJun 5, 2020
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 12.01O=C(O)c1cncc(O)c1
CACTVS 3.370Oc1cncc(c1)C(O)=O
OpenEye OEToolkits 1.7.6c1c(cncc1O)C(=O)O

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SMILES CANONICAL

CACTVS 3.370Oc1cncc(c1)C(O)=O
OpenEye OEToolkits 1.7.6c1c(cncc1O)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)

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InChIKey

InChI 1.03ATTDCVLRGFEHEO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-hydroxypyridine-3-carboxylic acid
OpenEye OEToolkits 1.7.65-oxidanylpyridine-3-carboxylic acid

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PDB entries

Showing all 4 items

PDB-4h2q:
structure of MHPCO-5HN complex

PDB-4h2r:
Structure of MHPCO Y270F mutant, 5-hydroxynicotinic acid complex

PDB-5hxi:
2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5HN bound

PDB-5rst:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332673

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