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APD : Summary
Code ![](/pdbe/static/images/help.png)
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APD
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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-METHYLPHENYLALANINE
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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 H13 N O2
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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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179.216 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)C(N)Cc1cccc(c1)C |
SMILES
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CACTVS |
3.341 |
Cc1cccc(C[CH](N)C(O)=O)c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1cccc(c1)CC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
Cc1cccc(C[C@H](N)C(O)=O)c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1cccc(c1)C[C@@H](C(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JZRBSTONIYRNRI-VIFPVBQESA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (13 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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2001-09-28
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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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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