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- ChemComp-AC6: P-HYDROXYACETOPHENONE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: AC6
NameName: P-hydroxyacetophenone

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Chemical information

Composition
Formula: C8H8O2 / Number of atoms: 18 / Formula weight: 136.148 / Formal charge: 0
Others

2gq8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AC6 / Model coordinates PDB-ID: 2GQ8
History
Create componentApr 21, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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(c1ccc(O)cc1)C
CACTVS 3.341CC(=O)c1ccc(O)cc1
OpenEye OEToolkits 1.5.0CC(=O)c1ccc(cc1)O

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SMILES CANONICAL

CACTVS 3.341CC(=O)c1ccc(O)cc1
OpenEye OEToolkits 1.5.0CC(=O)c1ccc(cc1)O

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InChI

InChI 1.03InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3

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InChIKey

InChI 1.03TXFPEBPIARQUIG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-(4-hydroxyphenyl)ethanone
OpenEye OEToolkits 1.5.01-(4-hydroxyphenyl)ethanone

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PDB entries

Showing all 6 items

PDB-2gq8:
Structure of SYE1, an OYE homologue from S. ondeidensis, in complex with p-hydroxyacetophenone

PDB-2o48:
Crystal structure of Mammalian Dimeric Dihydrodiol Dehydrogenase

PDB-5cq8:
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 4'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)

PDB-5pb8:
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09522a

PDB-5phn:
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09522a

PDB-7fkn:
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E05 from the F2X-Universal Library

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