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SSB : Summary
Code ![](/pdbe/static/images/help.png)
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SSB
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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-BUTYLTHIOLANE 1-OXIDE
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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 H16 O S
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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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160.277 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=S1CCC(CCCC)C1 |
SMILES
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CACTVS |
3.385 |
CCCC[CH]1CC[S](=O)C1 |
SMILES
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OpenEye OEToolkits |
1.7.5 |
CCCCC1CCS(=O)C1 |
Canonical SMILES
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CACTVS |
3.385 |
CCCC[C@H]1CC[S@](=O)C1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.5 |
CCCC[C@H]1CC[S@](=O)C1 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3/t8-,10-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QVVQIIIFHZDBDL-WPRPVWTQSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (10 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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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2012-01-05
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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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