| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:26 UTC |
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| Update Date | 2025-03-25 01:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252680 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H5BrClNO3 |
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| Molecular Mass | 228.9141 |
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| SMILES | NC(C(=O)O)C(=O)C(Cl)Br |
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| InChI Key | ZOKUJJFSCWKKFW-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalkyl bromidesalkyl chloridesalpha-chloroketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochlorideshort-chain keto acidorganohalogen compoundbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-haloketonealkyl halidehalogenated fatty acidalkyl bromidealpha-chloroketonemonocarboxylic acid or derivativesorganic oxygen compoundketo acidorganobromidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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