| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:49 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO8 |
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| Molecular Mass | 247.0328 |
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| SMILES | O=C(CCC(=O)C(=O)O)NC(C(=O)O)C(=O)O |
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| InChI Key | PNRPYMPFINCDJE-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 acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesn-acyl aminesorganic 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 acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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