+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PIN | ||
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Name | Name: Comment | pH buffer*YM | |
-Chemical information
Composition | Formula: C8H18N2O6S2 / Number of atoms: 36 / Formula weight: 302.368 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PIN / Model coordinates PDB-ID: 1CML | ||||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / CompTox / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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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