| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:23 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 | DMID02220759 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12BrNO4 |
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| Molecular Mass | 252.995 |
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| SMILES | O=C(O)CN=C(O)CCC(O)CBr |
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| InChI Key | MEXJBKMEHWPJES-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 | alkyl bromidesbromohydrinscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidealcoholhalohydrinorganic 1,3-dipolar compoundalkyl bromidemonocarboxylic acid or derivativesorganic oxygen compoundbromohydrinsecondary alcoholorganobromidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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