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AEH : Summary
Code ![](/pdbe/static/images/help.png)
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AEH
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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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4-(2-aminoethyl)-2-ethylphenol
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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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C10 H15 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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165.232 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 |
Oc1ccc(cc1CC)CCN |
SMILES
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CACTVS |
3.341 |
CCc1cc(CCN)ccc1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCc1cc(ccc1O)CCN |
Canonical SMILES
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CACTVS |
3.341 |
CCc1cc(CCN)ccc1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCc1cc(ccc1O)CCN |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LDAFQVRTSOETPE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (12 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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2008-01-07
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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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