| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:51 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180469 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N2O4+ |
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| Molecular Mass | 217.1183 |
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| SMILES | C[N+](C)(C)CC(=O)CC(=O)C(N)C(=O)O |
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| InChI Key | JICUHDHBGDEVEZ-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 acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha-amino ketonesaminesamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylsgamma-amino ketoneshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidbeta-keto acidketoneorganic oxidealpha-aminoketoneorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltgamma-aminoketonetetraalkylammonium saltquaternary ammonium saltamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compoundmedium-chain keto acid |
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