| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:45 UTC |
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| Update Date | 2025-03-21 18:01:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030720 |
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| Frequency | 135.3 |
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| Structure | |
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| Chemical Formula | C7H11NO5 |
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| Molecular Mass | 189.0637 |
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| SMILES | CC(NC(=O)C(C)C(=O)O)C(=O)O |
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| InChI Key | IDXSUHCBVTWZJS-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 compoundsalanine and derivativesalpha amino acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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