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- ChemComp-5BR: 1-BROMOPENTANE -

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Basic information

EntryDatabase: PDB chemical components / ID: 5BR
NameName: 1-bromopentane

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Chemical information

Composition
Formula: C5H11Br / Number of atoms: 17 / Formula weight: 151.045 / Formal charge: 0
Others

1xvc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5BR / Model coordinates PDB-ID: 1XVC
History
Create componentNov 3, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / CompTox / 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 10.04BrCCCCC
CACTVS 3.341CCCCCBr
OpenEye OEToolkits 1.5.0CCCCCBr

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SMILES CANONICAL

CACTVS 3.341CCCCCBr
OpenEye OEToolkits 1.5.0CCCCCBr

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InChI

InChI 1.03InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3

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InChIKey

InChI 1.03YZWKKMVJZFACSU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-bromopentane
OpenEye OEToolkits 1.5.01-bromopentane

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PDB entries

Showing all 1 items

PDB-1xvc:
soluble methane monooxygenase hydroxylase: 8-bromooctanol soaked structure

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