| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:48:48 UTC |
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| Update Date | 2025-03-24 20:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01606503 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C5H5NO4 |
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| Molecular Mass | 143.0219 |
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| SMILES | NC(=O)C=CC(=O)C(=O)O |
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| InChI Key | ZPNJRSORDMAWSU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidalpha,beta-unsaturated ketonecarboxamide groupalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundenone |
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