| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:40 UTC |
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| Update Date | 2025-03-21 18:41:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135570 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C10H15NO7 |
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| Molecular Mass | 261.0849 |
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| SMILES | CC(C)C(NC(=O)C(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | BAXFTUSSUDKJBM-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 | 1,3-dicarbonyl compoundsalpha amino acidscarboxylic acidshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivativesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidvaline or derivativesfatty amidetricarboxylic acid or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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