| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:55 UTC |
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| Update Date | 2025-03-21 18:34:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100288 |
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| Frequency | 36.0 |
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| Structure | |
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| Chemical Formula | C9H11NO8 |
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| Molecular Mass | 261.0485 |
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| SMILES | O=C(O)CC(NC(=O)CCC(=O)C(=O)O)C(=O)O |
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| InChI Key | JKPXCEQNGUXHAY-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidetricarboxylic acid or derivativesalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundketo acidaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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