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- ChemComp-OKG: 4-peroxy-4-oxobutanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: OKG
NameName: 4-peroxy-4-oxobutanoic acid

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Chemical information

Composition
Formula: C4H5O5 / Number of atoms: 14 / Formula weight: 133.079 / Formal charge: -1
Others

6alo

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OKG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ALO
History
Create componentAug 9, 2017
Other modificationAug 16, 2017
Initial releaseSep 6, 2017
External linksUniChem / ChemSpider / PubChem / 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 12.01OC(=O)CCC(=O)O[O-]
CACTVS 3.385OC(=O)CCC(=O)O[O-]
OpenEye OEToolkits 2.0.6C(CC(=O)O[O-])C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)CCC(=O)O[O-]
OpenEye OEToolkits 2.0.6C(CC(=O)O[O-])C(=O)O

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InChI

InChI 1.03InChI=1S/C4H6O5/c5-3(6)1-2-4(7)9-8/h8H,1-2H2,(H,5,6)/p-1

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InChIKey

InChI 1.03WBOQHFMXKCEWSQ-UHFFFAOYSA-M

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SYSTEMATIC NAME

ACDLabs 12.012-(3-carboxypropanoyl)dioxidan-1-ide
OpenEye OEToolkits 2.0.64-oxidanyl-4-oxidanylidene-butaneperoxoate

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PDB entries

Showing all 1 items

PDB-6alo:
VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and a peroxysuccinate intermediate

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