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TWJ : Summary
Code ![](/pdbe/static/images/help.png)
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TWJ
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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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1-thio-beta-D-talopyranose
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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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C6 H12 O5 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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196.221 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 |
12.01 |
SC1OC(CO)C(C(O)C1O)O |
SMILES
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CACTVS |
3.385 |
OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C(C1C(C(C(C(O1)S)O)O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@H]1O[C@@H](S)[C@@H](O)[C@@H](O)[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S)O)O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5+,6+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JUSMHIGDXPKSID-URLGYRAOSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Saccharide
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Type description ![](/pdbe/static/images/help.png)
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D-saccharide, beta linking
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Type code ![](/pdbe/static/images/help.png)
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ATOMS
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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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2020-04-01
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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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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