+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CYH | ||
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Name | Name: Wikipedia | Wikipedia - Cyclohexanone: |
Cyclohexanone is the organic compound with the formula (CH2)5CO. The molecule consists of six-carbon cyclic molecule with a ketone functional group... |
-Chemical information
Composition | Formula: C6H10O / Number of atoms: 17 / Formula weight: 98.143 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CYH / Model coordinates PDB-ID: 1B2L | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 6 items
PDB-1b2l:
ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS: TERNARY COMPLEX WITH NAD-CYCLOHEXANONE
PDB-3qme:
Crystal Structure of an Anopheles gambiae Odorant-binding Protein AgamOBP22a with Bound Odorant Cyclohexanone
PDB-3ucl:
Cyclohexanone-bound crystal structure of cyclohexanone monooxygenase in the Rotated conformation
PDB-4i59:
Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A complexed with cyclohexanone
PDB-4j63:
Crystal structure of Ribonuclease A soaked in 40% Cyclohexanone: One of twelve in MSCS set
PDB-6h7p:
Reductive Aminase from Aspergillus terreus in complex with NADPH4, cyclohexanone and allyl amine