+Open data
-Basic information
Entry | Database: PDB chemical components / ID: R2K | ||
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Name | Name: (Wikipedia | Wikipedia - Disodium malonate: Disodium malonate is a sodium salt of malonic acid with the chemical formula CH2(COONa)2. It is a white crystal soluble in water but not in alcohols, esters or benzene... | |
-Chemical information
Composition | Formula: C3H2Na2O4 / Number of atoms: 11 / Formula weight: 148.025 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: R2K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7A6Q | ||||
History |
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External links | UniChem / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | [OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | [OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7a6q:
Crystal structure of human aldehyde dehydrogenase 1A3 in complex with selective NR6 inhibitor compound