+Open data
-Basic information
Entry | Database: PDB chemical components / ID: C2H | ||
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Name | Name: Wikipedia | Wikipedia - Acetylene: |
Acetylene (systematic name: ethyne) is the chemical compound with the formula C2H2 and structure H−C≡C−H. It is a hydrocarbon and the simplest alkyne... |
-Chemical information
Composition | Formula: C2H2 / Number of atoms: 4 / Formula weight: 26.037 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C2H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6BBL | ||||||
History |
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External links | UniChem / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / 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-6bbl:
Crystal structure of the a-96Gln MoFe protein variant in the presence of the substrate acetylene