| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:41 UTC |
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| Update Date | 2025-03-21 18:35:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107114 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C7H14NO5+ |
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| Molecular Mass | 192.0866 |
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| SMILES | C[N+](C)(C)C(C(=O)O)C(O)C(=O)O |
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| InChI Key | VLXHDOYXTLPMCU-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesaminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscholinesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty acidbeta-hydroxy acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium saltquaternary ammonium salthydroxy acidorganic oxygen compoundcholineaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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