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ZB1 : Summary
Code
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ZB1
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One-letter code
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X
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Molecule name
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3-O-methyl-alpha-D-glucopyranose
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Systematic names
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Formula
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C7 H14 O6
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Formal charge
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0
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Molecular weight
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194.182 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O(C1C(O)C(OC(O)C1O)CO)C |
SMILES
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CACTVS |
3.370 |
CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
COC1C(C(OC(C1O)O)CO)O |
Canonical SMILES
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CACTVS |
3.370 |
CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O |
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IUPAC InChI | InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1 |
IUPAC InChI key | SCBBSJMAPKXHAH-OVHBTUCOSA-N |
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wwPDB Information |
Atom count
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27 (13 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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2012-12-18
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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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