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- ChemComp-EOH: ETHANOL -

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Basic information

EntryDatabase: PDB chemical components / ID: EOH
NameName: ethanol

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Chemical information

Composition
Formula: C2H6O / Number of atoms: 9 / Formula weight: 46.068 / Formal charge: 0
Others

EOX

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EOH / Ideal coordinates details: Corina / Replaces: EOX
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / 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 11.02OCC
CACTVS 3.352CCO
OpenEye OEToolkits 1.7.0CCO

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SMILES CANONICAL

CACTVS 3.352CCO
OpenEye OEToolkits 1.7.0CCO

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InChI

InChI 1.03InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

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InChIKey

InChI 1.03LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 11.02ethanol
OpenEye OEToolkits 1.6.1ethanol

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PDB entries

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