| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 01:11:25 UTC |
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| Update Date | 2025-03-21 19:06:18 UTC |
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| HMDB ID | HMDB0060434 |
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| Metabolite Identification |
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| DeepMet ID | DMID00230496 |
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| Name | alpha-Fluoro-beta-alanine |
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| Frequency | 9.3 |
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| Structure | |
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| Chemical Formula | C3H6FNO2 |
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| Molecular Mass | 107.0383 |
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| SMILES | NCC(F)C(=O)O |
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| InChI Key | OJQNRNQELNLWHH-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 | alkyl fluoridesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl fluorideorganofluoridealpha-halocarboxylic acidorganohalogen compoundbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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