[English] 日本語
Yorodumi- ChemComp-3N9: (6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3N9 |
---|---|
Name | Name: ( |
-Chemical information
Composition | Formula: C6H5FO4 / Number of atoms: 16 / Formula weight: 160.1 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4WHQ | ||||||
History |
| ||||||
External links | UniChem / PubChem / 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 1 items
PDB-4whq:
Alkylperoxo reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 6.5