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CWF : Summary
Code ![](/pdbe/static/images/help.png)
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CWF
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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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(8S)-8-azanylnonanoic acid
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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 H19 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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173.253 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 |
C[CH](N)CCCCCCC(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(CCCCCCC(=O)O)N |
Canonical SMILES
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CACTVS |
3.385 |
C[C@H](N)CCCCCCC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@@H](CCCCCCC(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H19NO2/c1-8(10)6-4-2-3-5-7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VXBHEKXWXPQBQM-QMMMGPOBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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31 (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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2019-05-24
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Last modified at ![](/pdbe/static/images/help.png)
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2020-02-21
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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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