| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:33 UTC |
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| Update Date | 2025-03-25 00:58:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232256 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO3S |
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| Molecular Mass | 205.0773 |
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| SMILES | CCC(CS)C(NC(C)=O)C(=O)O |
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| InChI Key | OMYINTUHAXKARS-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 | acetamidesalkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidemethyl-branched fatty acidn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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