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A1H10 : Summary
Code 
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A1H10
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One-letter code
|
X
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Molecule name
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2-O-sulfo-beta-D-glucopyranuronic acid
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Synonyms
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O2-SULFO-GLUCURONIC ACID
2-O-sulfo-beta-D-glucuronic acid
2-O-sulfo-D-glucuronic acid
2-O-sulfo-glucuronic acid
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Systematic names
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Formula
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C6 H10 O10 S
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Formal charge
|
0
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Molecular weight
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274.203 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
|
CACTVS |
3.385 |
O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O |
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SMILES
|
OpenEye OEToolkits |
2.0.7 |
C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O |
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Canonical SMILES
|
CACTVS |
3.385 |
O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O |
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Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O |
|
IUPAC InChI | InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3-,4+,6+/m0/s1 |
IUPAC InChI key | COJBCAMFZDFGFK-AZLKCVHYSA-N |
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wwPDB Information |
Atom count
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27 (17 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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Yes
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Standard parent
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BDP
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Defined at
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2024-01-09
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Last modified at
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2024-07-12
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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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Protein Data Bank 
