| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:39 UTC |
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| Update Date | 2025-03-25 00:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221350 |
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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 | O=C(O)C1CC[N+]12CCC(O)C2 |
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| InChI Key | JNELLLBJVWPHPN-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 | 1,2-aminoalcoholsaminesazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidazetidinecarboxylic acidorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compoundalcoholtetraalkylammonium saltazacyclen-alkylpyrrolidine1,2-aminoalcoholquaternary ammonium saltazetidinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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