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- ChemComp-1HC: prop-2-enamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 1HC
NameName: prop-2-enamide

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Chemical information

Composition
Formula: C3H5NO / Number of atoms: 10 / Formula weight: 71.078 / Formal charge: 0
Others

4izu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1HC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4IZU
History
Create componentFeb 4, 2013
Initial releaseFeb 12, 2014
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

ACDLabs 12.01O=C(\C=C)N
CACTVS 3.370NC(=O)C=C
OpenEye OEToolkits 1.7.6C=CC(=O)N

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SMILES CANONICAL

CACTVS 3.370NC(=O)C=C
OpenEye OEToolkits 1.7.6C=CC(=O)N

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InChI

InChI 1.03InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)

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InChIKey

InChI 1.03HRPVXLWXLXDGHG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01prop-2-enamide
OpenEye OEToolkits 1.7.6prop-2-enamide

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PDB entries

Showing all 3 items

PDB-4izu:
The E41Q mutant of the amidase from Nesterenkonia sp. AN1 showing the result of Michael addition of acrylamide at the active site cysteine

PDB-4izv:
The E41Q/C145A double mutant of the amidase from Nesterenkonia sp. AN1 in complex with acrylamide

PDB-8fym:
Crystal structure of Fab235 in complex with MPER peptide

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