| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 04:18:45 UTC |
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| Update Date | 2025-03-21 23:13:41 UTC |
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| HMDB ID | HMDB0304427 |
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| Metabolite Identification |
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| DeepMet ID | DMID00671354 |
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| Name | N-methyl-beta-alanine |
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| Frequency | 2.3 |
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| Structure | |
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| Chemical Formula | C4H8NO2+ |
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| Molecular Mass | 102.055 |
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| SMILES | C[N+]CCC(=O)O |
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| InChI Key | IIKHXPQOYUMPCU-UHFFFAOYSA-N |
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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 | carboxylic acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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