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- ChemComp-C14: TETRADECANE -

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Basic information

EntryDatabase: PDB chemical components / ID: C14
NameName: tetradecane

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Chemical information

Composition
Formula: C14H30 / Number of atoms: 44 / Formula weight: 198.388 / Formal charge: 0
Others

1w6j

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C14 / Model coordinates PDB-ID: 1W6J
History
Create componentAug 17, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / LipidMaps / Metabolights / NMRShiftDB / 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 10.04C(CCCCC)CCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3

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InChIKey

InChI 1.03BGHCVCJVXZWKCC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04tetradecane
OpenEye OEToolkits 1.5.0tetradecane

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