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HNS : Summary
Code ![](/pdbe/static/images/help.png)
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HNS
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C13 H11 N O4
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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245.231 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C=1NC(=CC(C=1O)=O)c2ccccc2C |
SMILES
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CACTVS |
3.385 |
Cc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XRLUBEBGQPTVFH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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29 (18 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2018-07-16
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Last modified at ![](/pdbe/static/images/help.png)
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2019-07-12
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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