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8YU : Summary
Code ![](/pdbe/static/images/help.png)
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8YU
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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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(2,6-dimethylphenyl)methanamine
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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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C9 H13 N
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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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135.206 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 |
Cc1cccc(C)c1CN |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cccc(c1CN)C |
Canonical SMILES
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CACTVS |
3.385 |
Cc1cccc(C)c1CN |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cccc(c1CN)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H13N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,6,10H2,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZFDBHFFKSQCNML-UHFFFAOYSA-N |
Is part of ![](/pdbe/static/images/help.png) |
8Z0
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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23 (10 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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2017-11-09
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Last modified at ![](/pdbe/static/images/help.png)
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2018-07-06
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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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