+Open data
-Basic information
Entry | Database: PDB chemical components / ID: R3W | ||
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Name | Name: Wikipedia | Wikipedia - Chloroacetic acid: |
Chloroacetic acid, industrially known as monochloroacetic acid , is the organochlorine compound with the formula ClCH2CO2H. This carboxylic acid is a useful building block in organic synthesis... |
-Chemical information
Composition | Formula: C2H3ClO2 / Number of atoms: 8 / Formula weight: 94.497 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: R3W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3R3W | ||||||
History |
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External links | UniChem / Brenda / ChEBI / ChEMBL / CompTox / HMDB / KEGG_Ligand / LipidMaps / NMRShiftDB / 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 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | |
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-PDB entries
Showing all 3 items
PDB-3r3w:
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate
PDB-5k3b:
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate - Cocrystallized
PDB-6qku:
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Chloroacetate soaked 2hr