| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:09 UTC |
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| Update Date | 2025-03-25 00:51:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190255 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10BrNO3 |
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| Molecular Mass | 234.9844 |
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| SMILES | CC(=O)N1CCC(Br)C1C(=O)O |
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| InChI Key | BFAHXBCDZDBJEQ-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl bromidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acylpyrrolidineorganohalogen compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidepyrrolidineorganoheterocyclic compoundacetamideproline or derivativesazacyclen-acyl-alpha-amino acidcarboxamide groupalkyl bromidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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