| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:22 UTC |
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| Update Date | 2025-03-25 00:55:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213802 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO5 |
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| Molecular Mass | 201.0637 |
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| SMILES | CCN(CC(=O)O)C(=O)C=CC(=O)O |
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| InChI Key | WXBNKFLNZLSGRA-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 | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidfatty acidcarboxamide groupn-acyl-amineunsaturated fatty acidorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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