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Z9H : Summary
Code
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Z9H
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One-letter code
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X
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Molecule name
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3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose
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Systematic names
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Formula
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C8 H16 O12 S2
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Formal charge
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0
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Molecular weight
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368.335 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)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1OC |
SMILES
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CACTVS |
3.370 |
CO[CH]1[CH](CO[S](O)(=O)=O)O[CH](O)[CH](O[S](O)(=O)=O)[CH]1OC |
SMILES
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OpenEye OEToolkits |
1.7.6 |
COC1C(OC(C(C1OC)OS(=O)(=O)O)O)COS(=O)(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
CO[C@@H]1[C@@H](CO[S](O)(=O)=O)O[C@H](O)[C@H](O[S](O)(=O)=O)[C@H]1OC |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O |
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IUPAC InChI | InChI=1S/C8H16O12S2/c1-16-5-4(3-18-21(10,11)12)19-8(9)7(6(5)17-2)20-22(13,14)15/h4-9H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)/t4-,5-,6+,7-,8+/m1/s1 |
IUPAC InChI key | KXJTXUUGBKCQJT-CBQIKETKSA-N |
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wwPDB Information |
Atom count
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38 (22 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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