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- ChemComp-L3V: N-[4-(hydroxymethyl)phenyl]acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: L3V
NameName: N-[4-(hydroxymethyl)phenyl]acetamide

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Chemical information

Composition
Formula: C9H11NO2 / Number of atoms: 23 / Formula weight: 165.189 / Formal charge: 0
Others

6nv3
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L3V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6NV3
History
Create componentFeb 6, 2019
Initial releaseSep 23, 2020
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / 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 12.01CC(=O)Nc1ccc(CO)cc1
CACTVS 3.385CC(=O)Nc1ccc(CO)cc1
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)CO

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SMILES CANONICAL

CACTVS 3.385CC(=O)Nc1ccc(CO)cc1
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)CO

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InChI

InChI 1.03InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-5,11H,6H2,1H3,(H,10,12)

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InChIKey

InChI 1.03XEYORFKUJZEQCH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[4-(hydroxymethyl)phenyl]acetamide
OpenEye OEToolkits 2.0.7~{N}-[4-(hydroxymethyl)phenyl]ethanamide

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PDB entries

Showing all 1 items

PDB-6yox:
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-027

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