| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:07 UTC |
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| Update Date | 2025-03-25 00:51:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190170 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12ClNO3 |
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| Molecular Mass | 193.0506 |
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| SMILES | CC(=O)NC(C(=O)O)C(C)CCl |
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| InChI Key | ZOJAQJRDOXASDP-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 acidshalogenated fatty acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic 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 halideacetamidehalogenated fatty acidmethyl-branched fatty acidn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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