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- ChemComp-XGM: N-hydroxypropanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: XGM
NameName: N-hydroxypropanamide

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Chemical information

Composition
Formula: C3H7NO2 / Number of atoms: 13 / Formula weight: 89.093 / Formal charge: 0
Others

5s80

Type: non-polymer / PDB classification: HETAIN / Three letter code: XGM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5S80
History
Create componentDec 16, 2020
Initial releaseJun 23, 2021
External linksUniChem / ChemSpider / Brenda / ChEMBL / CompTox / 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 12.01CCC(=O)NO
CACTVS 3.385CCC(=O)NO
OpenEye OEToolkits 2.0.7CCC(=O)NO

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SMILES CANONICAL

CACTVS 3.385CCC(=O)NO
OpenEye OEToolkits 2.0.7CCC(=O)NO

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InChI

InChI 1.03InChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)

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InChIKey

InChI 1.03RSIPQHOWTCNEBI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-hydroxypropanamide
OpenEye OEToolkits 2.0.7~{N}-oxidanylpropanamide

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PDB entries

Showing all 2 items

PDB-5s80:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a

PDB-7h4q:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z59181971 (A71EV2A-x1080)

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