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- ChemComp-3JN: 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: Synonyms: 3-carboxy-propenyl-phthalic acid |
-Chemical information
Composition | |||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3JN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4R5H | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 1 items
![](data/pdb/img/4r5h.jpg)
PDB-4r5h:
Crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide-Adenine-Dinucleotide-Phosphate and 3-carboxy-propenyl-phthalic acid