| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:34 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184301 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7Cl2NO4 |
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| Molecular Mass | 214.9752 |
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| SMILES | NC(CC(Cl)(Cl)C(=O)O)C(=O)O |
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| InChI Key | CSNTXACGEWSCOB-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesalpha amino acidsalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshalogenated fatty acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochloridefatty acidalpha-halocarboxylic acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehalogenated fatty acidglutamic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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