| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:07 UTC |
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| Update Date | 2025-03-21 17:58:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017802 |
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| Frequency | 354.9 |
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| Structure | |
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| Chemical Formula | C8H13NO3 |
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| Molecular Mass | 171.0895 |
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| SMILES | CCC(C)=CC(=O)NCC(=O)O |
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| InChI Key | WCAOPPZWOCFLPM-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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