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- ChemComp-5HD: 5-(2-hydroxyethyl)nonane-1,9-diol -

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Basic information

EntryDatabase: PDB chemical components / ID: 5HD
NameName: 5-(2-hydroxyethyl)nonane-1,9-diol

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Chemical information

Composition
Formula: C11H24O3 / Number of atoms: 38 / Formula weight: 204.306 / Formal charge: 0
Others

3dwb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5HD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3DWB
History
Create componentJul 24, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / 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 10.04OCCCCC(CCO)CCCCO
CACTVS 3.341OCCCCC(CCO)CCCCO
OpenEye OEToolkits 1.5.0C(CCO)CC(CCCCO)CCO

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SMILES CANONICAL

CACTVS 3.341OCCCCC(CCO)CCCCO
OpenEye OEToolkits 1.5.0C(CCO)CC(CCCCO)CCO

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InChI

InChI 1.03InChI=1S/C11H24O3/c12-8-3-1-5-11(7-10-14)6-2-4-9-13/h11-14H,1-10H2

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InChIKey

InChI 1.03VICIXNZSEUYGFV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-(2-hydroxyethyl)nonane-1,9-diol
OpenEye OEToolkits 1.5.05-(2-hydroxyethyl)nonane-1,9-diol

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PDB entries

Showing all 1 items

PDB-3dwb:
structure of human ECE-1 complexed with phosphoramidon

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