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- ChemComp-I7L: 2-naphthalen-2-ylethanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: I7L
NameName: 2-naphthalen-2-ylethanoic acid

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Chemical information

Composition
Formula: C12H10O2 / Number of atoms: 24 / Formula weight: 186.207 / Formal charge: 0
Others

7yy5

Type: non-polymer / PDB classification: HETAIN / Three letter code: I7L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7YY5
History
Create componentFeb 17, 2022
Initial releaseJun 29, 2022
Modify descriptorAug 22, 2022
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

CACTVS 3.385OC(=O)Cc1ccc2ccccc2c1
OpenEye OEToolkits 2.0.7c1ccc2cc(ccc2c1)CC(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)Cc1ccc2ccccc2c1
OpenEye OEToolkits 2.0.7c1ccc2cc(ccc2c1)CC(=O)O

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InChI

InChI 1.06InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)

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InChIKey

InChI 1.06VIBOGIYPPWLDTI-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7yy5:
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 9

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