| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:01 UTC |
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| Update Date | 2025-03-21 18:06:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062247 |
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| Frequency | 49.9 |
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| Structure | |
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| Chemical Formula | C5H6Cl3NO3 |
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| Molecular Mass | 232.9413 |
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| SMILES | CC(=O)NC(C(=O)O)C(Cl)(Cl)Cl |
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| InChI Key | ZADMJFVIDXFQJT-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 | acetamidesalkyl chloridesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidalkyl chlorideorganochloridecarboxamide grouporganohalogen compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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