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X1X : Summary
Code
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X1X
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One-letter code
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X
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Molecule name
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alpha-D-talopyranuronic acid
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Systematic names
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Formula
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C6 H10 O7
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Formal charge
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0
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Molecular weight
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194.139 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C1OC(O)C(O)C(O)C1O |
SMILES
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CACTVS |
3.385 |
O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C1(C(C(OC(C1O)O)C(=O)O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
[C@@H]1([C@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O |
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IUPAC InChI | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6-/m0/s1 |
IUPAC InChI key | AEMOLEFTQBMNLQ-JWKHNPINSA-N |
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wwPDB Information |
Atom count
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23 (13 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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2013-12-15
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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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