| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:34 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135341 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C12H18N2O4 |
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| Molecular Mass | 254.1267 |
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| SMILES | CC1(CC(N)C(=O)NCC(=O)O)C=CC(O)=CC1 |
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| InChI Key | QZJIITCTIKBBMB-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdipeptidesfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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