| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:52 UTC |
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| Update Date | 2025-03-25 00:47:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164400 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO5S |
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| Molecular Mass | 237.0671 |
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| SMILES | CC(NC(=O)CCCS(C)(=O)=O)C(=O)O |
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| InChI Key | JZAYRMGUUHFEBM-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 acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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