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XYD : Summary
Code ![](/pdbe/static/images/help.png)
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XYD
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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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2,5-DIMETHYLANILINE
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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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C8 H11 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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121.18 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 |
Nc1cc(ccc1C)C |
SMILES
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CACTVS |
3.341 |
Cc1ccc(C)c(N)c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1ccc(c(c1)N)C |
Canonical SMILES
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CACTVS |
3.341 |
Cc1ccc(C)c(N)c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1ccc(c(c1)N)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VOWZNBNDMFLQGM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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20 (9 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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2002-02-07
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-13
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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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