+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9O0 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C3H3F3O3 / Number of atoms: 12 / Formula weight: 144.049 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9O0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6A0B | ||||
History |
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External links | Brenda / UniChem / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | [ | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.6 | ( | |
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-PDB entries
Showing all 1 items
PDB-6a0b:
The crystal structure of Mandelate oxidase mutant Y128F with (R)-3,3,3-trifluoro-2-hydroxy-propionic acid