+Open data
-Basic information
Entry | Database: PDB chemical components / ID: SQ | ||||
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Name | Name: Wikipedia | Wikipedia - Squaric acid: Squaric acid, also called quadratic acid because its four carbon atoms approximately form a square, is a diprotic organic acid with the chemical formula C4O2(OH)2. | The conjugate base of squaric acid is the hydrogensquarate anion HC4O−4; and the conjugate base of the hydrogensquarate anion is the divalent squarate anion C4O2−4. This is one of the oxocarbon anions, which consist only of carbon and oxygen. Squaric acid is a reagent for chemical synthesis, used for instance to make photosensitive squaraine dyes and inhibitors of protein tyrosine phosphatases. ...Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C7H12N2O2 / Number of atoms: 23 / Formula weight: 156.182 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SQ / Model coordinates PDB-ID: 1MD2 | ||||||
History |
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External links | UniChem / PubChem / 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 1 items
PDB-1md2:
CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013