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- ChemComp-U5C: 2,2-bis(oxidanyl)pentanedioic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: U5C
NameName: 2,2-bis(oxidanyl)pentanedioic acid
Synonyms: 2,2-dihydroxyglutarate; 2,2-dihydroxypentanedioic acid

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Chemical information

Composition
Formula: C5H8O6 / Number of atoms: 19 / Formula weight: 164.113 / Formal charge: 0
Others

8owm

Type: non-polymer / PDB classification: HETAIN / Three letter code: U5C / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8OWM
History
Create componentMay 3, 2023
Initial releaseAug 9, 2023
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

CACTVS 3.385OC(=O)CCC(O)(O)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(C(=O)O)(O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)CCC(O)(O)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(C(=O)O)(O)O)C(=O)O

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InChI

InChI 1.06InChI=1S/C5H8O6/c6-3(7)1-2-5(10,11)4(8)9/h10-11H,1-2H2,(H,6,7)(H,8,9)

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InChIKey

InChI 1.06FFGNAYMZNXXDAW-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8owm:
Crystal structure of glutamate dehydrogenase 2 from Arabidopsis thaliana binding Ca, NAD and 2,2-dihydroxyglutarate

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