+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PDT | ||
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Name | Name: Wikipedia | Wikipedia - Propane-1,3-dithiol: 1,3-Propanedithiol is the chemical compound with the formula HSCH2CH2CH2SH. This dithiol is a useful reagent in organic synthesis. This liquid, which is readily available commercially, has an intense stench.
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-Chemical information
Composition | Formula: C3H8S2 / Number of atoms: 13 / Formula weight: 108.226 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PDT / Model coordinates PDB-ID: 1HFE | ||||
History |
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External links | UniChem / Brenda / ChEBI / ChemicalBook / CompTox / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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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