| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:09 UTC |
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| Update Date | 2025-03-21 18:29:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076921 |
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| Frequency | 64.9 |
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| Structure | |
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| Chemical Formula | C6H7NO6 |
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| Molecular Mass | 189.0273 |
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| SMILES | O=C(O)CNC(=O)C=C(O)C(=O)O |
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| InChI Key | XJXXLOFPJFDPNW-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativesunsaturated fatty acidsvinylogous acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidevinylogous acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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