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GQ1 : Summary
Code ![](/pdbe/static/images/help.png)
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GQ1
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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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4-O-sulfo-alpha-D-glucopyranose
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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 O9 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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260.219 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 |
O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO |
SMILES
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CACTVS |
3.385 |
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[S](O)(=O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OS(=O)(=O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LOTQRUGOUKUSEY-UKFBFLRUSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (16 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, alpha 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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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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GLC
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Defined at ![](/pdbe/static/images/help.png)
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2014-02-21
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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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