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Z4K : Summary
Code
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Z4K
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One-letter code
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X
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Molecule name
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2-O-sulfo-alpha-D-glucopyranose
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Systematic names
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Formula
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C6 H12 O9 S
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Formal charge
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0
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Molecular weight
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260.219 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=S(=O)(OC1C(O)C(O)C(OC1O)CO)O |
SMILES
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CACTVS |
3.370 |
OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C(C1C(C(C(C(O1)O)OS(=O)(=O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.370 |
OC[C@H]1O[C@H](O)[C@H](O[S](O)(=O)=O)[C@@H](O)[C@@H]1O |
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)OS(=O)(=O)O)O)O)O |
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IUPAC InChI | InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 |
IUPAC InChI key | MOGKHCGKIJXABF-DVKNGEFBSA-N |
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wwPDB Information |
Atom count
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28 (16 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide, alpha linking
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Type code
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ATOMS
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Is modified
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Yes
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Standard parent
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GLC
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Defined at
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2012-12-17
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Last modified at
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2020-07-17
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Status
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Released
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Obsoleted
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Not Assigned
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