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T6T : Summary
Code 
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T6T
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One-letter code 
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X
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Molecule name 
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alpha-D-tagatopyranose
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Synonyms 
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alpha-D-tagatose
D-tagatose
tagatose
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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 |
12.01 |
OC1C(OCC(C1O)O)(CO)O |
SMILES
|
CACTVS |
3.385 |
OC[C]1(O)OC[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C1C(C(C(C(O1)(CO)O)O)O)O |
Canonical SMILES
|
CACTVS |
3.385 |
OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O |
|
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-VANKVMQKSA-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, alpha 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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2015-07-13
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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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