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- ChemComp-PGF: 2,5,8,11-TETRAOXATRIDECANE -

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Basic information

EntryDatabase: PDB chemical components / ID: PGF
NameName: 2,5,8,11-tetraoxatridecane

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Chemical information

Composition
Formula: C9H20O4 / Number of atoms: 33 / Formula weight: 192.253 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PGF
History
Create componentMay 15, 2006
Modify descriptorJun 4, 2011
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 10.04O(C)CCOCCOCCOCC
CACTVS 3.341CCOCCOCCOCCOC
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOC

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SMILES CANONICAL

CACTVS 3.341CCOCCOCCOCCOC
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOC

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InChI

InChI 1.03InChI=1S/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3

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InChIKey

InChI 1.03JRRDISHSXWGFRF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042,5,8,11-tetraoxatridecane
OpenEye OEToolkits 1.5.01-ethoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane

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PDB entries

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TTK kinase domain in complex with NTRC 0066-0

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Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)

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Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand

PDB-9rec:
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F186

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