| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:29 UTC |
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| Update Date | 2025-03-25 00:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193212 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO3 |
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| Molecular Mass | 225.1365 |
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| SMILES | CCCCCC=CC(=C=O)C(N)CC(=O)O |
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| InChI Key | QKUUYCBCUKNMFW-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 acidsbranched fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesketenesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino fatty acidbranched fatty acidbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundketeneorganooxygen compound |
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