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B0G : Summary
Code ![](/pdbe/static/images/help.png)
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B0G
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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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(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate
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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 H17 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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235.279 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 |
OC1CCN(CC1)C(=O)OCc2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)COC(=O)N2CCC(CC2)O |
Canonical SMILES
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CACTVS |
3.385 |
OC1CCN(CC1)C(=O)OCc2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)COC(=O)N2CCC(CC2)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JKIUUDJOCYHIGY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (17 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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2017-07-28
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Last modified at ![](/pdbe/static/images/help.png)
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2018-08-03
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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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