| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:22 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220749 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9Cl2NO3 |
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| Molecular Mass | 212.9959 |
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| SMILES | O=C(O)CCCNC(=O)C(Cl)Cl |
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| InChI Key | TVUVXAVNSDNZNV-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesstraight chain fatty acids |
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| Substituents | halogenated fatty acidfatty acylaliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidgamma amino acid or derivativesalkyl chlorideorganochloridefatty acidcarboxamide grouporganohalogen compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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