| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:33:30 UTC |
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| Update Date | 2025-03-21 17:56:08 UTC |
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| HMDB ID | HMDB0061880 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000248 |
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| Name | N-Acetyl-beta-alanine |
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| Frequency | 16201.3 |
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| Structure | |
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| Chemical Formula | C5H9NO3 |
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| Molecular Mass | 131.0582 |
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| SMILES | CC(=O)NCCC(=O)O |
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| InChI Key | LJLLAWRMBZNPMO-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 | acetamidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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