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- ChemComp-DEM: DECYLOXY-METHANOL -

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Basic information

EntryDatabase: PDB chemical components / ID: DEM
NameName: decyloxy-methanol

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Chemical information

Composition
Formula: C11H24O2 / Number of atoms: 37 / Formula weight: 188.307 / Formal charge: 0
Others

1ek8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DEM / Model coordinates PDB-ID: 1EK8
History
Create componentMar 8, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / 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 10.04OCOCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCOCO
OpenEye OEToolkits 1.5.0CCCCCCCCCCOCO

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCOCO
OpenEye OEToolkits 1.5.0CCCCCCCCCCOCO

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InChI

InChI 1.03InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h12H,2-11H2,1H3

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InChIKey

InChI 1.03CDMVCFBAVCCGIE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(decyloxy)methanol
OpenEye OEToolkits 1.5.0decoxymethanol

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PDB entries

Showing all 1 items

PDB-1ek8:
CRYSTAL STRUCTURE OF THE RIBOSOME RECYCLING FACTOR (RRF) FROM ESCHERICHIA COLI

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