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- ChemComp-TBY: tributylstannanyl -

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Basic information

EntryDatabase: PDB chemical components / ID: TBY
NameName: tributylstannanyl / Synonyms: tributyltin

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Chemical information

Composition
Formula: C12H27Sn / Number of atoms: 40 / Formula weight: 290.053 / Formal charge: 0
Others

3e94

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TBY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3E94
History
Create componentSep 5, 2008
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / DrugBank / Nikkaji / PubChem / 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 10.04[Sn](CCCC)(CCCC)CCCC
CACTVS 3.341CCCC[Sn](CCCC)CCCC
OpenEye OEToolkits 1.5.0CCCC[Sn](CCCC)CCCC

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SMILES CANONICAL

CACTVS 3.341CCCC[Sn](CCCC)CCCC
OpenEye OEToolkits 1.5.0CCCC[Sn](CCCC)CCCC

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InChI

InChI 1.03InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;

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InChIKey

InChI 1.03DBGVGMSCBYYSLD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04tributylstannane
OpenEye OEToolkits 1.5.0tributyltin

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PDB entries

Showing all 3 items

PDB-3e94:
Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment

PDB-3wj4:
Crystal structure of PPARgamma ligand binding domain in complex with tributyltin

PDB-7axg:
Crystal structure of the hPXR-LBD in complex with tributyltin

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