| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:22 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149637 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO4 |
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| Molecular Mass | 243.1471 |
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| SMILES | CCCCC=CC(C)C(=O)NC(CO)C(=O)O |
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| InChI Key | UYRLUNPCKMSUQL-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compound |
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