| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:23 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223084 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H8BrNO3 |
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| Molecular Mass | 208.9688 |
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| SMILES | NC(CCC(=O)O)C(=O)Br |
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| InChI Key | DWTPCVKLPWQFPP-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 | acyl bromidesalpha amino acidscarbonyl compoundscarboxylic acidsgamma amino acids and derivativeshalogenated fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidgamma amino acid or derivativesfatty acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhalogenated fatty acidacyl bromideglutamic acid or derivativesacyl halidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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