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SHD : Summary
Code 
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SHD
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One-letter code 
|
X
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Molecule name 
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alpha-D-altropyranose
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Synonyms 
|
alpha-D-altrose
D-altrose
altrose
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Systematic names 
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|
Formula 
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C6 H12 O6
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Formal charge 
|
0
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Molecular weight 
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180.156 Da
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SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
OC1C(O)C(OC(O)C1O)CO |
SMILES
|
CACTVS |
3.341 |
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C1C(C(C(C(O1)O)O)O)O)O |
Canonical SMILES
|
CACTVS |
3.341 |
OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O |
|
IUPAC InChI  | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6+/m1/s1 |
IUPAC InChI key  | WQZGKKKJIJFFOK-TVIMKVIFSA-N |
|
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 
|
Not Assigned
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Defined at 
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2009-01-17
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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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