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- ChemComp-MZ0: 1H-imidazol-5-ylmethanol -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: MZ0
NameName: 1H-imidazol-5-ylmethanol / Synonyms: 4(5)-(hydroxymethyl)imidazole

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Chemical information

Composition
Formula: C4H6N2O / Number of atoms: 13 / Formula weight: 98.103 / Formal charge: 0
Others

2yor

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MZ0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2YOR
History
Create componentOct 26, 2012
Initial releaseOct 23, 2013
Modify descriptorSep 5, 2014
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / CompTox / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01OCc1cncn1
CACTVS 3.385OCc1[nH]cnc1
OpenEye OEToolkits 1.9.2c1c([nH]cn1)CO

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SMILES CANONICAL

CACTVS 3.385OCc1[nH]cnc1
OpenEye OEToolkits 1.9.2c1c([nH]cn1)CO

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InChI

InChI 1.03InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)

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InChIKey

InChI 1.03QDYTUZCWBJRHKK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011H-imidazol-5-ylmethanol
OpenEye OEToolkits 1.9.21H-imidazol-5-ylmethanol

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PDB entries

Showing all 2 items

PDB-2yor:
Crystallization of a 45 kDa peroxygenase- peroxidase from the mushroom Agrocybe aegerita and structure determination by SAD utilizing only the haem iron

PDB-5dyu:
Crystal Structure of BAZ2B bromodomain in complex with fragment F39

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