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- ChemComp-F50: ETHANEPEROXOIC ACID -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: F50
NameName: ethaneperoxoic acid

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Chemical information

Composition
Formula: C2H4O3 / Number of atoms: 9 / Formula weight: 76.051 / Formal charge: 0
Others

2iuf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: F50 / Model coordinates PDB-ID: 2IUF
History
Create componentJun 2, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / 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(OO)C
CACTVS 3.341CC(=O)OO
OpenEye OEToolkits 1.5.0CC(=O)OO

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SMILES CANONICAL

CACTVS 3.341CC(=O)OO
OpenEye OEToolkits 1.5.0CC(=O)OO

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InChI

InChI 1.03InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3

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InChIKey

InChI 1.03KFSLWBXXFJQRDL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04ethaneperoxoic acid
OpenEye OEToolkits 1.5.0ethaneperoxoic acid

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PDB entries

Showing all 5 items

PDB-2iuf:
The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole

PDB-5h3h:
Esterase (EaEST) from Exiguobacterium antarcticum

PDB-5wj1:
Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam

PDB-5wkc:
Saccharomyces cerevisiae acetohydroxyacid synthase in complex with the herbicide penoxsulam

PDB-7u1d:
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in complex with chlorimuron-ethyl

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