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D8T : Summary
Code 
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D8T
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One-letter code 
|
X
|
Molecule name 
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D-arabinonic acid
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Systematic names 
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Formula 
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C5 H10 O6
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Formal charge 
|
0
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Molecular weight 
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166.129 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)C(O)C(O)C(O)CO |
SMILES
|
CACTVS |
3.370 |
OC[CH](O)[CH](O)[CH](O)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
C(C(C(C(C(=O)O)O)O)O)O |
Canonical SMILES
|
CACTVS |
3.370 |
OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O |
|
IUPAC InChI  | InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1 |
IUPAC InChI key  | QXKAIJAYHKCRRA-JJYYJPOSSA-N |
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wwPDB Information |
Atom count 
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21 (11 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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NON-POLYMER
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Type code 
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HETAIN
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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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2011-06-07
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Last modified at 
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2012-06-01
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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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