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- ChemComp-D1T: DECANE-1-THIOL -

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Basic information

EntryDatabase: PDB chemical components / ID: D1T
NameName: decane-1-thiol

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Chemical information

Composition
Formula: C10H22S / Number of atoms: 33 / Formula weight: 174.347 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: D1T / Ideal coordinates details: Corina
History
Create componentJul 26, 2007
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

ACDLabs 10.04SCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCS
OpenEye OEToolkits 1.5.0CCCCCCCCCCS

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCS
OpenEye OEToolkits 1.5.0CCCCCCCCCCS

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InChI

InChI 1.03InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

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InChIKey

InChI 1.03VTXVGVNLYGSIAR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04decane-1-thiol
OpenEye OEToolkits 1.5.0decane-1-thiol

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PDB entries

Showing all 3 items

PDB-2qo0:
Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-(decyldithiocarbonyloxy)-undecanoic acid

PDB-2qo1:
2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH.

PDB-2qx1:
Crystal structure of the complex between mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FABH) and decyl-COA disulfide

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