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- ChemComp-33D: 3,3-DIMETHYLBUTAN-1-OL -

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Basic information

EntryDatabase: PDB chemical components / ID: 33D
NameName: 3,3-dimethylbutan-1-ol

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Chemical information

Composition
Formula: C6H14O / Number of atoms: 21 / Formula weight: 102.175 / Formal charge: 0
Others

2y5o
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 33D / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2Y5O
History
Create componentJan 17, 2011
Modify descriptorJun 4, 2011
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

CACTVS 3.352CC(C)(C)CCO
OpenEye OEToolkits 1.6.1CC(C)(C)CCO

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SMILES CANONICAL

CACTVS 3.352CC(C)(C)CCO
OpenEye OEToolkits 1.6.1CC(C)(C)CCO

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InChI

InChI 1.03InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3

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InChIKey

InChI 1.03DUXCSEISVMREAX-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.13,3-dimethylbutan-1-ol

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PDB entries

Showing all 1 items

PDB-3zvw:
Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein

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