| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:52 UTC |
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| Update Date | 2025-03-21 18:35:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107579 |
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| Frequency | 31.6 |
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| Structure | |
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| Chemical Formula | C8H13NO4 |
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| Molecular Mass | 187.0845 |
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| SMILES | CC(C)CC(NC(=O)C=O)C(=O)O |
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| InChI Key | NBQBZFRWYCWZSJ-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 | aldehydesalpha amino acidscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidn-acyl-alpha-amino acidaldehydecarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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