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SB9 : Summary
Code ![](/pdbe/static/images/help.png)
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SB9
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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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HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE
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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 H14 N2 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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194.23 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=CN(O)CCCc1nc(ccc1)C |
SMILES
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CACTVS |
3.341 |
Cc1cccc(CCCN(O)C=O)n1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1cccc(n1)CCCN(C=O)O |
Canonical SMILES
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CACTVS |
3.341 |
Cc1cccc(CCCN(O)C=O)n1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1cccc(n1)CCCN(C=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H14N2O2/c1-9-4-2-5-10(11-9)6-3-7-12(14)8-13/h2,4-5,8,14H,3,6-7H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FJYUGRZKJXCRFF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (14 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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2005-08-16
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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