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- ChemComp-FIX: D-fructuronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: FIX
NameName: D-fructuronic acid / Synonyms: D-Fructuronate

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Chemical information

Composition
Formula: C6H8O7 / Number of atoms: 21 / Formula weight: 192.124 / Formal charge: 0
Others

3hka

Type: D-SACCHARIDE / PDB classification: ATOMS / Three letter code: FIX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3HKA
History
Create componentMay 26, 2009
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
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

ACDLabs 10.04O=C(O)C(O)C(O)C(O)C(=O)C=O
CACTVS 3.341O[CH]([CH](O)C(O)=O)[CH](O)C(=O)C=O
OpenEye OEToolkits 1.5.0C(=O)C(=O)C(C(C(C(=O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H]([C@H](O)C(O)=O)[C@H](O)C(=O)C=O
OpenEye OEToolkits 1.5.0C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1,3-5,9-11H,(H,12,13)/t3-,4+,5+/m1/s1

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InChIKey

InChI 1.03VLFFNIKCNGLGIG-WISUUJSJSA-N

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SYSTEMATIC NAME

ACDLabs 10.04D-fructosuronic acid
OpenEye OEToolkits 1.5.0(2S,3S,4S)-2,3,4-trihydroxy-5,6-dioxo-hexanoic acid

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PDB entries

Showing all 1 items

PDB-3hka:
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Fructuronate

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