+Open data
-Basic information
Entry | Database: PDB chemical components / ID: FU2 | ||
---|---|---|---|
Name | Name: Wikipedia | Wikipedia - Furfural: Furfural is an organic compound with the formula C4H3OCHO. It is a colorless liquid, although commercial samples are often brown... | |
-Chemical information
Composition | Formula: C5H4O2 / Number of atoms: 11 / Formula weight: 96.084 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FU2 / Model coordinates PDB-ID: 1QXD | ||||
History |
| ||||
External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
---|
-PDB entries
Showing all 4 items
PDB-1qxd:
Structural Basis for the Potent Antisickling Effect of a Novel Class of 5-Membered Heterocyclic Aldehydic Compounds
PDB-3s2f:
Crystal Structure of FurX NADH:Furfural
PDB-3s2g:
Crystal Structure of FurX NADH+:Furfuryl alcohol I
PDB-3s2i:
Crystal Structure of FurX NADH+:Furfuryl alcohol II