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G68 : Summary
Code ![](/pdbe/static/images/help.png)
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G68
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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-[6-(oxan-4-yl)pyridin-2-yl]phenol
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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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C16 H17 N O2
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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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255.312 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Oc1cccc(c1)c2cccc(n2)C3CCOCC3 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3 |
Canonical SMILES
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CACTVS |
3.385 |
Oc1cccc(c1)c2cccc(n2)C3CCOCC3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H17NO2/c18-14-4-1-3-13(11-14)16-6-2-5-15(17-16)12-7-9-19-10-8-12/h1-6,11-12,18H,7-10H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JWOOVEVAKYLUGG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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36 (19 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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2018-08-29
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Last modified at ![](/pdbe/static/images/help.png)
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2019-09-06
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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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