| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:34:11 UTC |
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| Update Date | 2025-03-21 17:56:31 UTC |
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| HMDB ID | HMDB0304538 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001898 |
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| Name | beta-alanine betaine |
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| Frequency | 3204.7 |
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| Structure | |
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| Chemical Formula | C6H14NO2+ |
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| Molecular Mass | 132.1019 |
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| SMILES | C[N+](C)(C)CCC(=O)O |
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| InChI Key | ACZVSMNFVFBOTM-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | tetraalkylammonium salts |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidtetraalkylammonium saltcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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