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- ChemComp-QJE: 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]etho... -

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Basic information

EntryDatabase: PDB chemical components / ID: QJE
NameName: 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol

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Chemical information

Composition
Formula: C15H33NO7 / Number of atoms: 56 / Formula weight: 339.425 / Formal charge: 0
Others

6zfm

Type: non-polymer / PDB classification: HETAIN / Three letter code: QJE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ZFM
History
Create componentJun 18, 2020
Modify atom idNov 26, 2020
Initial releaseDec 2, 2020
External linksUniChem / ChemSpider / PubChem / 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 3.385NCCOCCOCCOCCOCCOCCOCCCO
OpenEye OEToolkits 2.0.7C(CO)COCCOCCOCCOCCOCCOCCN

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SMILES CANONICAL

CACTVS 3.385NCCOCCOCCOCCOCCOCCOCCCO
OpenEye OEToolkits 2.0.7C(CO)COCCOCCOCCOCCOCCOCCN

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InChI

InChI 1.03InChI=1S/C15H33NO7/c16-2-5-19-7-9-21-11-13-23-15-14-22-12-10-20-8-6-18-4-1-3-17/h17H,1-16H2

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InChIKey

InChI 1.03ZSCFOXFWAAWAJH-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6zfm:
Structure of alpha-Cobratoxin with a peptide inhibitor

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