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- ChemComp-K42: 4-(2-azanylethoxy)phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: K42
NameName: 4-(2-azanylethoxy)phenol

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Chemical information

Composition
Formula: C8H11NO2 / Number of atoms: 22 / Formula weight: 153.178 / Formal charge: 0
Others

6rgw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K42 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RGW
History
Create componentApr 18, 2019
Initial releaseJul 1, 2020
External linksUniChem / ChemSpider / CompTox / 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

CACTVS 3.385NCCOc1ccc(O)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1O)OCCN

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SMILES CANONICAL

CACTVS 3.385NCCOc1ccc(O)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1O)OCCN

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InChI

InChI 1.03InChI=1S/C8H11NO2/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2

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InChIKey

InChI 1.03QSDOKFGRSJQNMX-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6rgw:
Photorhabdus asymbiotica lectin PHL in complex with O-methylated PGL-1-derived disaccharide

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