| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:28 UTC |
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| Update Date | 2025-03-25 00:45:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149888 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H25NO3 |
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| Molecular Mass | 243.1834 |
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| SMILES | CCCCC(=O)NC(CC(C)C)C(=O)OCC |
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| InChI Key | LVSMKPIQPGDKCY-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidscarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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