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- ChemComp-3HM: 5-hydroxy-6-methylpyridine-3-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 3HM
NameName: 5-hydroxy-6-methylpyridine-3-carboxylic acid / Synonyms: 2-methyl-3-hydroxypyridine-5-carboxylic acid

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Chemical information

Composition
Formula: C7H7NO3 / Number of atoms: 18 / Formula weight: 153.135 / Formal charge: 0
Others

3gmc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3HM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GMC
History
Create componentMar 25, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / CompTox / KEGG_Ligand / 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)c1cnc(c(O)c1)C
CACTVS 3.341Cc1ncc(cc1O)C(O)=O
OpenEye OEToolkits 1.5.0Cc1c(cc(cn1)C(=O)O)O

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SMILES CANONICAL

CACTVS 3.341Cc1ncc(cc1O)C(O)=O
OpenEye OEToolkits 1.5.0Cc1c(cc(cn1)C(=O)O)O

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InChI

InChI 1.03InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)

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InChIKey

InChI 1.03NYEFWJFPBFRRKU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-hydroxy-6-methylpyridine-3-carboxylic acid
OpenEye OEToolkits 1.5.05-hydroxy-6-methyl-pyridine-3-carboxylic acid

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PDB entries

Showing all 1 items

PDB-3gmc:
Crystal Structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid Oxygenase with substrate bound

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