| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:15 UTC |
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| Update Date | 2025-03-25 00:51:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190479 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4 |
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| Molecular Mass | 183.0532 |
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| SMILES | CC(=O)C1=NC(C(=O)O)CC(=O)C1 |
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| InChI Key | NFMLRIJAROCSCL-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidscyclic ketoneshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleiminetetrahydropyridineorganic 1,3-dipolar compoundcyclic ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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