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SJW : Summary
Code ![](/pdbe/static/images/help.png)
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SJW
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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-pyridin-3-ylpropanal
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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 H9 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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151.163 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 |
OC(=O)CCc1cccnc1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(cnc1)CCC(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)CCc1cccnc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(cnc1)CCC(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WDGXIUUWINKTGP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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20 (11 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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2020-11-20
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Last modified at ![](/pdbe/static/images/help.png)
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2024-06-28
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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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