| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:09 UTC |
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| Update Date | 2025-03-25 00:57:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226954 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23NO5 |
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| Molecular Mass | 273.1576 |
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| SMILES | CC(C)CC(=O)C(NC(CC(C)C)C(=O)O)C(=O)O |
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| InChI Key | TXVDWPJQWZJLCK-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 | 1,3-dicarbonyl compoundsalpha amino acidsamino acidsamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidbeta-keto acidketoneorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidsecondary amineamino fatty acidbranched fatty acidorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundaminemedium-chain keto acid |
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