| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:44 UTC |
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| Update Date | 2025-03-21 18:34:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102332 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C7H14NO4+ |
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| Molecular Mass | 176.0917 |
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| SMILES | C[N+](C)(C)CC(=O)C(O)C(=O)O |
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| InChI Key | LWIKSASDNXJXSB-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-aminoalcohols1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-amino ketonesalpha-hydroxy ketonesaminesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcohol1,3-aminoalcoholtetraalkylammonium saltquaternary ammonium salthydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compound |
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