+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3N8 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C6H5FO2 / Number of atoms: 14 / Formula weight: 128.101 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3N8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4WHQ | ||||
History |
| ||||
External links | UniChem / Brenda / ChEBI / ChemicalBook / CompTox / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
---|
-PDB entries
Showing all 3 items
PDB-4whq:
Alkylperoxo reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 6.5
PDB-4whr:
Anhydride reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5
PDB-4whs:
4-fluorocatechol bound to Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5