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- ChemComp-PVO: 2,2-bis(oxidanyl)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: PVO
NameName: 2,2-bis(oxidanyl)propanoic acid

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Chemical information

Composition
Formula: C3H6O4 / Number of atoms: 13 / Formula weight: 106.077 / Formal charge: 0
Others

5ls7

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: PVO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5LS7
History
Create componentAug 23, 2016
Initial releaseSep 13, 2017
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / 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

CACTVS 3.385CC(O)(O)C(O)=O
OpenEye OEToolkits 2.0.5CC(C(=O)O)(O)O

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SMILES CANONICAL

CACTVS 3.385CC(O)(O)C(O)=O
OpenEye OEToolkits 2.0.5CC(C(=O)O)(O)O

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InChI

InChI 1.03InChI=1S/C3H6O4/c1-3(6,7)2(4)5/h6-7H,1H3,(H,4,5)

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InChIKey

InChI 1.03HPQUMJNDQVOTAZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6ovi:
Crystal Structure of KDPG Aldolase from Legionella Pneumophila with pyruvate captured at low pH as a covalent carbinolamine intermediate

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