| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:33:52 UTC |
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| Update Date | 2025-03-21 17:56:24 UTC |
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| HMDB ID | HMDB0240479 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001160 |
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| Name | Alanine betaine |
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| Frequency | 5031.4 |
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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 | CC(C(=O)O)[N+](C)(C)C |
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| InChI Key | CJKONRHMUGBAQI-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidtetraalkylammonium saltquaternary ammonium saltorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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