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TEU : Summary
Code
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TEU
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One-letter code
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X
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Molecule name
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1-O-alpha-D-glucopyranosyl-D-fructose
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Synonyms
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1-O-alpha-D-glucosyl-D-fructose
1-O-D-glucosyl-D-fructose
1-O-glucosyl-D-fructose
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Systematic names
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Formula
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C12 H22 O11
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Formal charge
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0
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Molecular weight
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342.296 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO |
SMILES
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CACTVS |
3.370 |
OC[CH](O)[CH](O)[CH](O)C(=O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C(C1C(C(C(C(O1)OCC(=O)C(C(C(CO)O)O)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.370 |
OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[C@H]1O[C@H](CO)[C@@H](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)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O |
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IUPAC InChI | InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1 |
IUPAC InChI key | NMELTECMHKKXLF-DGQJZECASA-N |
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wwPDB Information |
Atom count
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45 (23 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
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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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2012-10-04
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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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