+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AXO | ||
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Name | Name: (Wikipedia | Wikipedia - Acetaldoxime: Acetaldoxime is the chemical compound with formula C2H5NO. It is one of the simplest oxime-containing compounds, and has a wide variety of uses in chemical synthesis.
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-Chemical information
Composition | Formula: C2H5NO / Number of atoms: 9 / Formula weight: 59.067 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AXO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WFD | ||||||
History |
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External links | UniChem / Brenda / ChEBI / ChemicalBook / CompTox / HMDB / Metabolights / 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 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | ( | |
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-PDB entries
Showing all 1 items
PDB-3wfd:
Reduced and acetaldoxime-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment