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- ChemComp-O4B: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE -

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Basic information

EntryDatabase: PDB chemical components / ID: O4B
NameName: 1,4,7,10,13,16-hexaoxacyclooctadecane

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Chemical information

Composition
Formula: C12H24O6 / Number of atoms: 42 / Formula weight: 264.315 / Formal charge: 0
Others

4bei

Type: non-polymer / PDB classification: HETAIN / Three letter code: O4B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BEI
History
Create componentMar 11, 2013
Initial releaseDec 18, 2013
Modify descriptorSep 5, 2014
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / 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 12.01O1CCOCCOCCOCCOCCOCC1
CACTVS 3.385C1COCCOCCOCCOCCOCCO1
OpenEye OEToolkits 1.9.2C1COCCOCCOCCOCCOCCO1

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SMILES CANONICAL

CACTVS 3.385C1COCCOCCOCCOCCOCCO1
OpenEye OEToolkits 1.9.2C1COCCOCCOCCOCCOCCO1

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InChI

InChI 1.03InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2

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InChIKey

InChI 1.03XEZNGIUYQVAUSS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,4,7,10,13,16-hexaoxacyclooctadecane
OpenEye OEToolkits 1.9.21,4,7,10,13,16-hexaoxacyclooctadecane

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