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- ChemComp-BUT: BUTYL GROUP -

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Basic information

EntryDatabase: PDB chemical components / ID: BUT
Status

NBU

Status: Obsoleted / Replaced by: NBU
NameName: butyl group

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Chemical information

Composition
Formula: C4H10 / Number of atoms: 14 / Formula weight: 58.122 / Formal charge: 0
Others

2bos

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BUT / Model coordinates PDB-ID: 2BOS
History
Create componentJul 8, 1999
External linksUniChem / ChemSpider / 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 10.04CCCC
CACTVS 3.341CCCC
OpenEye OEToolkits 1.5.0CCCC

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SMILES CANONICAL

CACTVS 3.341CCCC
OpenEye OEToolkits 1.5.0CCCC

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InChI

InChI 1.02bInChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3

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InChIKey

InChI 1.02bIJDNQMDRQITEOD-UHFFFAOYAE

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SYSTEMATIC NAME

ACDLabs 10.04butane
OpenEye OEToolkits 1.5.0butane

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PDB entries

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