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- ChemComp-BZJ: 3-hydroxynaphthalene-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: BZJ
NameName: 3-hydroxynaphthalene-2-carboxylic acid

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Chemical information

Composition
Formula: C11H8O3 / Number of atoms: 22 / Formula weight: 188.179 / Formal charge: 0
Others

6aww

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BZJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6AWW
History
Create componentSep 6, 2017
Initial releaseSep 12, 2018
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 12.01C(c1c(cc2c(c1)cccc2)O)(O)=O
CACTVS 3.385OC(=O)c1cc2ccccc2cc1O
OpenEye OEToolkits 2.0.6c1ccc2cc(c(cc2c1)C(=O)O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1cc2ccccc2cc1O
OpenEye OEToolkits 2.0.6c1ccc2cc(c(cc2c1)C(=O)O)O

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InChI

InChI 1.03InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)

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InChIKey

InChI 1.03ALKYHXVLJMQRLQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-hydroxynaphthalene-2-carboxylic acid
OpenEye OEToolkits 2.0.63-oxidanylnaphthalene-2-carboxylic acid

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PDB entries

Showing all 4 items

PDB-6aww:
Structure of PR 10 Allergen Ara h 8.01 in complex with 3-Hydroxy-2-naphthoic acid

PDB-6sq9:
Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-hydroxynaphthalene-2-carboxylic acid

PDB-7nn4:
Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal 5'-phosphate and 3-hydroxy-2-naphthoic acid.

PDB-7yy7:
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 11

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