| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:33:51 UTC |
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| Update Date | 2025-03-21 17:56:24 UTC |
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| HMDB ID | HMDB0000056 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001133 |
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| Name | beta-Alanine |
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| Frequency | 5131.0 |
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| Structure | |
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| Chemical Formula | C3H7NO2 |
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| Molecular Mass | 89.0477 |
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| SMILES | NCCC(=O)O |
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| InChI Key | UCMIRNVEIXFBKS-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 | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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