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- ChemComp-1MZ: 1-METHYLIMIDAZOLE -

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Basic information

EntryDatabase: PDB chemical components / ID: 1MZ
NameName: 1-methylimidazole

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Chemical information

Composition
Formula: C4H7N2 / Number of atoms: 13 / Formula weight: 83.112 / Formal charge: 1
Others

1duo

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1MZ / Model coordinates PDB-ID: 1DUO
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / Nikkaji / PubChem / PubChem_TPharma / 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 10.04c1c[nH+]cn1C
CACTVS 3.341Cn1cc[nH+]c1
OpenEye OEToolkits 1.5.0Cn1cc[nH+]c1

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SMILES CANONICAL

CACTVS 3.341Cn1cc[nH+]c1
OpenEye OEToolkits 1.5.0Cn1cc[nH+]c1

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InChI

InChI 1.03InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1

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InChIKey

InChI 1.03MCTWTZJPVLRJOU-UHFFFAOYSA-O

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SYSTEMATIC NAME

ACDLabs 10.041-methyl-1H-imidazol-3-ium
OpenEye OEToolkits 1.5.01-methylimidazol-3-ium

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PDB entries

Showing all 7 items

1aet

1duo

1lsx

2h7r

4hez

4jo5

5ixv

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