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- ChemComp-FW2: L-2-keto-3deoxy-gluconate -

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Basic information

EntryDatabase: PDB chemical components / ID: FW2
NameName: L-2-keto-3deoxy-gluconate

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Chemical information

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

6h7s

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FW2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6H7S
History
Create componentAug 1, 2018
Other modificationAug 2, 2018
Initial releaseAug 14, 2019
External linksUniChem / ChemSpider / Brenda / Nikkaji / PubChem / PubChem_TPharma / 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 3.385OC[CH](O)[CH](O)CC(=O)C(O)=O
OpenEye OEToolkits 2.0.6C(C(C(CO)O)O)C(=O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H](O)[C@H](O)CC(=O)C(O)=O
OpenEye OEToolkits 2.0.6C([C@H]([C@H](CO)O)O)C(=O)C(=O)O

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InChI

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

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InChIKey

InChI 1.03WPAMZTWLKIDIOP-WUJLRWPWSA-N

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PDB entries

Showing all 1 items

PDB-6h7s:
Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase T157V/A198L variant in complex with L-2-keto-3deoxy-gluconate

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