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- ChemComp-MZY: 1,3-dihydroimidazole-2-thione -

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Basic information

EntryDatabase: PDB chemical components / ID: MZY
NameName: 1,3-dihydroimidazole-2-thione / Synonyms: 2-Mercaptoimidazole

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Chemical information

Composition
Formula: C3H4N2S / Number of atoms: 10 / Formula weight: 100.142 / Formal charge: 0
Others

5jt3
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MZY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5JT3
History
Create componentMay 12, 2016
Modify nameMay 23, 2016
Initial releaseJun 1, 2016
Other modificationJun 2, 2016
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385S=C1NC=CN1
OpenEye OEToolkits 2.0.5C1=CNC(=S)N1

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SMILES CANONICAL

CACTVS 3.385S=C1NC=CN1
OpenEye OEToolkits 2.0.5C1=CNC(=S)N1

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InChI

InChI 1.03InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)

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InChIKey

InChI 1.03OXFSTTJBVAAALW-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-5gh0:
Crystal structure of the complex of bovine lactoperoxidase with mercaptoimidazole at 2.3 A resolution

PDB-6t03:
Crystal structure of YTHDC1 with fragment 16 (DHU_DC1_017)

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