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- ChemComp-FX1: beta-D-threo-hexo-2,4-diulo-2,5-furanose -

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Basic information

EntryDatabase: PDB chemical components / ID: FX1
NameName: beta-D-threo-hexo-2,4-diulo-2,5-furanose
Synonyms: beta-D-threo-hexo-2,4-diulo-2,5-se; D-threo-hexo-2,4-diulo-2,5-se; threo-hexo-2,4-diulo-2,5-se

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Chemical information

Composition
Formula: C6H10O6 / Number of atoms: 22 / Formula weight: 178.14 / Formal charge: 0
Others

3l8h

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: FX1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3L8H
History
Create componentJan 11, 2010
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.352OC[CH]1O[C](O)(CO)[CH](O)C1=O
OpenEye OEToolkits 1.7.0C(C1C(=O)C(C(O1)(CO)O)O)O

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SMILES CANONICAL

CACTVS 3.352OC[C@H]1O[C@](O)(CO)[C@@H](O)C1=O
OpenEye OEToolkits 1.7.0C([C@@H]1C(=O)[C@@H]([C@](O1)(CO)O)O)O

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InChI

InChI 1.03InChI=1S/C6H10O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,5,7-8,10-11H,1-2H2/t3-,5+,6-/m1/s1

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InChIKey

InChI 1.03LAWYCIPOFYQBDZ-PQLUHFTBSA-N

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PDB entries

Showing all 1 items

PDB-3l8h:
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from B. bronchiseptica complexed with magnesium and phosphate

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