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OX4 : Summary
Code ![](/pdbe/static/images/help.png)
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OX4
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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-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
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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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C14 H16 F N O3
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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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265.28 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 |
10.04 |
O=C(O\N=C\c1ccc(O)c(F)c1)C2CCCCC2 |
SMILES
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CACTVS |
3.341 |
Oc1ccc(C=NOC(=O)C2CCCCC2)cc1F |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1C=NOC(=O)C2CCCCC2)F)O |
Canonical SMILES
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CACTVS |
3.341 |
Oc1ccc(\C=N\OC(=O)C2CCCCC2)cc1F |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NPVNUGQNVVMJJP-CXUHLZMHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (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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2007-02-22
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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