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- ChemComp-V4W: 4-deoxy-L-erythro-hex-5-ulosuronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: V4W
NameName: 4-deoxy-L-erythro-hex-5-ulosuronic acid
Synonyms: (4S,5S)-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid; (4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoic acid; 4-deoxy-L-erythro-5-hexoseulose uronic acid; 440352

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Chemical information

Composition
Formula: C6H8O6 / Number of atoms: 20 / Formula weight: 176.124 / Formal charge: 0
Others

7o7t

Type: non-polymer / PDB classification: HETAIN / Three letter code: V4W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O7T
History
Create componentApr 13, 2021
Initial releaseJul 28, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / KEGG_Ligand / LipidMaps / Nikkaji / PubChem / SureChEMBL / 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 3.385O[CH](CC(=O)C(O)=O)[CH](O)C=O
OpenEye OEToolkits 2.0.7C(C(C(C=O)O)O)C(=O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H](CC(=O)C(O)=O)[C@H](O)C=O
OpenEye OEToolkits 2.0.7C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1

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InChIKey

InChI 1.03IMUGYKFHMJLTOU-WVZVXSGGSA-N

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PDB entries

Showing all 1 items

PDB-7o7t:
Structure of the PL6 family alginate lyase Patl3640 from Pseudoalteromonas atlantica T6c in complex with 4-deoxy-L-erythro-5-hexoseulose uronic acid

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