| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:58 UTC |
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| Update Date | 2025-03-25 00:48:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169230 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23NO3 |
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| Molecular Mass | 229.1678 |
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| SMILES | CCCOC(=O)C(CC(C)C)NC(=O)CC |
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| InChI Key | VICTYHGQKLPSLA-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-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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