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BDF : Summary
Code
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BDF
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One-letter code
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X
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Molecule name
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beta-D-fructopyranose
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Synonyms
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beta-D-fructose
D-fructose
fructose
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Systematic names
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Formula
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C6 H12 O6
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Formal charge
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0
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Molecular weight
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180.156 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OC1C(O)(OCC(O)C1O)CO |
SMILES
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CACTVS |
3.341 |
OC[C]1(O)OC[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(C(C(C(O1)(CO)O)O)O)O |
Canonical SMILES
|
CACTVS |
3.341 |
OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O |
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IUPAC InChI | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 |
IUPAC InChI key | LKDRXBCSQODPBY-ARQDHWQXSA-N |
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wwPDB Information |
Atom count
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24 (12 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, beta linking
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Type code
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ATOMS
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2002-11-01
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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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