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- ChemComp-GKR: D-GLUCARATE -

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Basic information

EntryDatabase: PDB chemical components / ID: GKR
NameName: D-glucarate

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Chemical information

Composition
Formula: C6H8O8 / Number of atoms: 22 / Formula weight: 208.123 / Formal charge: -2
Others

1jct

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GKR / Model coordinates PDB-ID: 1JCT
History
Create componentJun 26, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / Metabolights / PubChem / Rhea / 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 10.04[O-]C(=O)C(O)C(O)C(O)C(O)C([O-])=O
CACTVS 3.341O[CH]([CH](O)[CH](O)C([O-])=O)[CH](O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2-,3-,4+/m0/s1

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InChIKey

InChI 1.03DSLZVSRJTYRBFB-LLEIAEIESA-L

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SYSTEMATIC NAME

ACDLabs 10.04(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)
OpenEye OEToolkits 1.5.0(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate

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PDB entries

Showing all 3 items

PDB-1jct:
Glucarate Dehydratase, N341L mutant Orthorhombic Form

PDB-3p0w:
Crystal structure of D-Glucarate dehydratase from Ralstonia solanacearum complexed with Mg and D-glucarate

PDB-3pfr:
Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate

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