| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:16 UTC |
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| Update Date | 2025-03-21 18:07:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069977 |
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| Frequency | 43.1 |
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| Structure | |
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| Chemical Formula | C7H7NO5 |
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| Molecular Mass | 185.0324 |
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| SMILES | NC(CC1=CC(=O)C(=O)O1)C(=O)O |
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| InChI Key | RSAVJTRNKATAIE-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 | carboxylic acidscyclic ketonesdicarboxylic acids and derivativesenol estersfuranoneshydrocarbon derivativeslactonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acidcyclic ketoneketonelactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundenol esterorganoheterocyclic compounddihydrofuranoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound3-furanoneorganooxygen compound |
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