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Yorodumi- ChemComp-O8R: 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: O8R |
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Name | Name: Synonyms: 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate |
-Chemical information
Composition | Formula: C7H11NO5 / Number of atoms: 24 / Formula weight: 189.166 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: O8R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AUI | ||||
History |
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External links | UniChem / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 5 items
PDB-8au9:
Xenobiotic reductase A from Pseudomonas putida in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
PDB-8aue:
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
PDB-8aui:
Xenobiotic reductase A Y27F variant in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
PDB-8aul:
OPR3 Y190F in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
PDB-8auo:
OPR3 Y370F variant in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate