| 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 | DMID02190459 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14NO3+ |
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| Molecular Mass | 172.0968 |
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| SMILES | CC(=O)C1CC(C(=O)O)[N+]1(C)C |
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| InChI Key | VMFIEECFJGXJCT-UHFFFAOYSA-O |
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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 | alpha-amino ketonesaminesazacyclic compoundsazetidinecarboxylic acidsazetidinescarboxylic acidsgamma-amino ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidazetidinecarboxylic acidketoneorganic oxidealpha-aminoketonealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundgamma-aminoketonetetraalkylammonium saltazacyclequaternary ammonium saltazetidinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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