| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:59 UTC |
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| Update Date | 2025-03-25 00:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13Cl3N2O3 |
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| Molecular Mass | 289.9992 |
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| SMILES | NCCCCC(NC(=O)C(Cl)(Cl)Cl)C(=O)O |
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| InChI Key | VCWFZDNQZYEQPZ-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 | alkyl chloridesalpha amino acidscarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochloridefatty acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidemedium-chain fatty acidhalogenated fatty acidn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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