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- ChemComp-FK2: 3-oxidanylidenepropanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: FK2
NameName: 3-oxidanylidenepropanoic acid

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Chemical information

Composition
Formula: C3H4O3 / Number of atoms: 10 / Formula weight: 88.062 / Formal charge: 0
Others

6h2g

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FK2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6H2G
History
Create componentJul 14, 2018
Initial releaseJan 23, 2019
External linksUniChem / ChemSpider / 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)CC=O
OpenEye OEToolkits 2.0.6C(C=O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)CC=O
OpenEye OEToolkits 2.0.6C(C=O)C(=O)O

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InChI

InChI 1.03InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)

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InChIKey

InChI 1.03OAKURXIZZOAYBC-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.63-oxidanylidenepropanoic acid

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PDB entries

Showing all 4 items

PDB-6h2g:
Structure of BlaC from Mycobacterium tuberculosis bound to the propionaldehyde ester adduct of clavulanic acid.

PDB-8hi5:
Crystal structure of the NADP+ and MSA bound C terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii

PDB-8hi6:
Crystal structure of the NADP+ and MSA bound N terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii

PDB-9nfd:
cis-CaaD E114N mutant with acetylenecarboxylic acid substrate and hydration product malonic semialdehyde

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