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ES6 : Summary
Code
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ES6
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One-letter code
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X
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Molecule name
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2-oxo-1,2-dihydropyridine-3-carboxylic acid
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Systematic names
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Formula
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C6 H5 N O3
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Formal charge
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0
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Molecular weight
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139.109 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.352 |
OC(=O)C1=CC=CNC1=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
C1=CNC(=O)C(=C1)C(=O)O |
Canonical SMILES
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CACTVS |
3.352 |
OC(=O)C1=CC=CNC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
C1=CNC(=O)C(=C1)C(=O)O |
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IUPAC InChI | InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10) |
IUPAC InChI key | UEYQJQVBUVAELZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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15 (10 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2009-12-04
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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