| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:10 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240472 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H8BrNO3S |
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| Molecular Mass | 228.9408 |
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| SMILES | NC(CCS(=O)Br)C(=O)O |
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| InChI Key | VSFKAILZSMAFMN-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinic acids and derivativessulfinyl halidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfinic acid derivativefatty acidorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfinyl halideorganooxygen compound |
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