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- ChemComp-FOA: 2-FUROIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: FOA
NameName: 2-furoic acid

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Chemical information

Composition
Formula: C5H4O3 / Number of atoms: 12 / Formula weight: 112.083 / Formal charge: 0
Others

2gag

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FOA / Model coordinates PDB-ID: 2GAG
History
Create componentMar 10, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / 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(O)c1occc1
CACTVS 3.341OC(=O)c1occc1
OpenEye OEToolkits 1.5.0c1cc(oc1)C(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)c1occc1
OpenEye OEToolkits 1.5.0c1cc(oc1)C(=O)O

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InChI

InChI 1.03InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)

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InChIKey

InChI 1.03SMNDYUVBFMFKNZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04furan-2-carboxylic acid
OpenEye OEToolkits 1.5.0furan-2-carboxylic acid

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PDB entries

Showing all 6 items

PDB-2gag:
Heteroteterameric sarcosine: structure of a diflavin metaloenzyme at 1.85 a resolution

PDB-2gah:
Heterotetrameric sarcosine: structure of a diflavin metaloenzyme at 1.85 a resolution

PDB-2gf3:
Structure of the complex of monomeric sarcosine with its substrate analogue inhibitor 2-furoic acid at 1.3 A resolution.

PDB-4rm3:
Crystal structure of a benzoate coenzyme A ligase with 2-Furoic acid

PDB-5wic:
TraE protein in complex with 2-Furoic Acid (FOA)

PDB-5yyf:
Crystal structure of AF9 YEATS domain in complex with a peptide inhibitor "PHQ-H3(Q5-K9)" modified at K9 with 2-furancarboyl group

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