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CQG : Summary
Code ![](/pdbe/static/images/help.png)
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CQG
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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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pyridin-4-ol
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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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C5 H5 N O
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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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95.099 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 |
c1cnccc1O |
SMILES
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CACTVS |
3.385 |
Oc1ccncc1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cnccc1O |
Canonical SMILES
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CACTVS |
3.385 |
Oc1ccncc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cnccc1O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GCNTZFIIOFTKIY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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12 (7 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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2017-09-28
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Last modified at ![](/pdbe/static/images/help.png)
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2018-09-28
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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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