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H6E : Summary
Code ![](/pdbe/static/images/help.png)
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H6E
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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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2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane
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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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C15 H27 N O3 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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301.445 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 |
O=[S](=O)(C[CH]1CCCOC1)N2CCC3(CCCCC3)C2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C1CCC2(CC1)CCN(C2)S(=O)(=O)CC3CCCOC3 |
Canonical SMILES
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CACTVS |
3.385 |
O=[S](=O)(C[C@@H]1CCCOC1)N2CCC3(CCCCC3)C2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H27NO3S/c17-20(18,12-14-5-4-10-19-11-14)16-9-8-15(13-16)6-2-1-3-7-15/h14H,1-13H2/t14-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IRCQTRJXJMLOAH-CQSZACIVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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47 (20 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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2018-11-16
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Last modified at ![](/pdbe/static/images/help.png)
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2019-07-05
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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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