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- ChemComp-PDT: 1,3-PROPANEDITHIOL -

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Basic information

EntryDatabase: PDB chemical components / ID: PDT
NameName: 1,3-propanedithiol

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Chemical information

Composition
Formula: C3H8S2 / Number of atoms: 13 / Formula weight: 108.226 / Formal charge: 0
Others

1hfe

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PDT / Model coordinates PDB-ID: 1HFE
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / HMDB / 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 10.04SCCCS
CACTVS 3.341SCCCS
OpenEye OEToolkits 1.5.0C(CS)CS

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SMILES CANONICAL

CACTVS 3.341SCCCS
OpenEye OEToolkits 1.5.0C(CS)CS

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InChI

InChI 1.03InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2

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InChIKey

InChI 1.03ZJLMKPKYJBQJNH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04propane-1,3-dithiol
OpenEye OEToolkits 1.5.0propane-1,3-dithiol

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PDB entries

Showing all 3 items

PDB-1e08:
Structural model of the [Fe]-Hydrogenase/cytochrome c553 complex combining NMR and soft-docking

PDB-1gx7:
Best model of the electron transfer complex between cytochrome c3 and [Fe]-hydrogenase

PDB-1hfe:
1.6 A RESOLUTION STRUCTURE OF THE FE-ONLY HYDROGENASE FROM DESULFOVIBRIO DESULFURICANS

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