| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:26 UTC |
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| Update Date | 2025-03-21 18:34:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099113 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C8H13NO4 |
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| Molecular Mass | 187.0845 |
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| SMILES | CC(=O)C(=O)NC(C(=O)O)C(C)C |
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| InChI Key | FTQUAYQUFJDVJX-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 acidscarboxylic acidshydrocarbon derivativesketonesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethyl-branched fatty acidn-acyl-alpha-amino acidvaline or derivativescarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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