| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:50 UTC |
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| Update Date | 2025-03-21 18:39:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126653 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C6H9NO4 |
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| Molecular Mass | 159.0532 |
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| SMILES | NC(C=CC(=O)O)CC(=O)O |
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| InChI Key | BRJQOWNMVNKEAY-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidamino fatty acidbeta amino acid or derivativesunsaturated fatty acidorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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