| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:08 UTC |
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| Update Date | 2025-03-21 18:03:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043656 |
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| Frequency | 77.8 |
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| Structure | |
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| Chemical Formula | C6H7NO5 |
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| Molecular Mass | 173.0324 |
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| SMILES | CC(=O)NC(=CC(=O)O)C(=O)O |
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| InChI Key | XLNXXQVRQRKMSI-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 | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesunsaturated fatty acidsvinylogous amides |
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| Substituents | fatty acylvinylogous amidealiphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidfatty acidcarboxamide groupsecondary carboxylic acid amideunsaturated fatty acidorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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