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- ChemComp-C2H: acetylene -

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Basic information

EntryDatabase: PDB chemical components / ID: C2H
NameName: acetylene / Synonyms: ethyne

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Chemical information

Composition
Formula: C2H2 / Number of atoms: 4 / Formula weight: 26.037 / Formal charge: 0
Others

6bbl

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C2H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6BBL
History
Create componentOct 19, 2017
Initial releaseJan 10, 2018
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01C#C
CACTVS 3.385C#C
OpenEye OEToolkits 2.0.6C#C

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SMILES CANONICAL

CACTVS 3.385C#C
OpenEye OEToolkits 2.0.6C#C

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InChI

InChI 1.03InChI=1S/C2H2/c1-2/h1-2H

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InChIKey

InChI 1.03HSFWRNGVRCDJHI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01ethyne
OpenEye OEToolkits 2.0.6ethyne

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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

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