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BDP : Summary
Code ![](/pdbe/static/images/help.png)
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BDP
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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beta-D-glucopyranuronic acid
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Synonyms ![](/pdbe/static/images/help.png)
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beta-D-glucuronic acid
D-glucuronic acid
glucuronic acid
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C6 H10 O7
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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194.139 Da
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SMILES ![](/pdbe/static/images/help.png)
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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 |
3.370 |
O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
C1(C(C(OC(C1O)O)C(=O)O)O)O |
Canonical SMILES
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CACTVS |
3.370 |
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 |
1.7.0 |
[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 ![](/pdbe/static/images/help.png) | 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 ![](/pdbe/static/images/help.png) | AEMOLEFTQBMNLQ-QIUUJYRFSA-N |
Is part of ![](/pdbe/static/images/help.png) |
NTO
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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23 (13 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Saccharide
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Type description ![](/pdbe/static/images/help.png)
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D-saccharide, beta linking
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Type code ![](/pdbe/static/images/help.png)
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ATOMS
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2001-11-26
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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