| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:39:49 UTC |
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| Update Date | 2025-03-21 17:58:32 UTC |
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| HMDB ID | HMDB0029168 |
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| Metabolite Identification |
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| DeepMet ID | DMID00015030 |
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| Name | 3-Aminocaproic acid |
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| Frequency | 290.8 |
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| Structure | |
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| Chemical Formula | C6H13NO2 |
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| Molecular Mass | 131.0946 |
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| SMILES | CCCC(N)CC(=O)O |
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| InChI Key | YIJFIIXHVSHQEN-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 | amino fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidamino fatty acidbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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