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- ChemComp-6OA: (2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 6OA
NameName: (2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid

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Chemical information

Composition
Formula: C6H8O4 / Number of atoms: 18 / Formula weight: 144.125 / Formal charge: 0
Others

4oe3
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6OA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4OE3
History
Create componentDec 17, 2013
Modify formulaJan 13, 2014
Modify nameJan 13, 2014
Initial releaseDec 24, 2014
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 12.01O=C(O)C(\O)=C\C=C\CO
CACTVS 3.385OCC=CC=C(O)C(O)=O
OpenEye OEToolkits 1.7.6C(C=CC=C(C(=O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC\C=C\C=C(/O)C(O)=O
OpenEye OEToolkits 1.7.6C(/C=C/C=C(/C(=O)O)\O)O

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InChI

InChI 1.03InChI=1S/C6H8O4/c7-4-2-1-3-5(8)6(9)10/h1-3,7-8H,4H2,(H,9,10)/b2-1+,5-3-

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InChIKey

InChI 1.03YRYDCWGBHNTXLE-WFTYEQLWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid
OpenEye OEToolkits 1.7.6(2Z,4E)-2,6-bis(oxidanyl)hexa-2,4-dienoic acid

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PDB entries

Showing all 1 items

PDB-4ou2:
A 2.15 Angstroms X-ray crystal structure of E268A 2-aminomuconate 6-semialdehyde dehydrogenase catalytic intermediate from Pseudomonas fluorescens

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