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- ChemComp-PA0: Phenylarsine oxide -

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Basic information

EntryDatabase: PDB chemical components / ID: PA0
NameName: Phenylarsine oxide / Synonyms: oxo(phenyl)arsane

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Chemical information

Composition
Formula: C6H5AsO / Number of atoms: 13 / Formula weight: 168.025 / Formal charge: 0
Others

3e3z

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PA0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3E3Z
History
Create componentAug 13, 2008
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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=[As]c1ccccc1
CACTVS 3.341O=[As]c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)[As]=O

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SMILES CANONICAL

CACTVS 3.341O=[As]c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)[As]=O

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InChI

InChI 1.03InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H

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InChIKey

InChI 1.03BQVCCPGCDUSGOE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04oxo(phenyl)arsane
OpenEye OEToolkits 1.5.0arsorosobenzene

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PDB entries

Showing all 6 items

PDB-3e3z:
Crystal structure of bovine coupling Factor B bound with phenylarsine oxide

PDB-4kw7:
The structure of an As(III) S-adenosylmethionine methyltransferase with Phenylarsine oxide(PAO)

PDB-5dal:
Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione

PDB-5eg5:
As (III) S-adenosylmethyltransferase cysteine mutant C72A bound Phenylarsine oxide (PhAs(III) in the arsenic binding site

PDB-6qhk:
PAO-linked dimer of the catalytic domain of the human ubiquitin-conjugating enzyme UBE2S

PDB-8dta:
Metal sensitive GFP (mseGFP) complexed with phenylarsine oxide.

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