| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:13 UTC |
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| Update Date | 2025-03-21 18:33:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096138 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C8H13NO3S |
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| Molecular Mass | 203.0616 |
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| SMILES | C=CSCCC(NC(C)=O)C(=O)O |
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| InChI Key | XDSLHGNDZFXYFA-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 | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidsthioenol ethers |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidthioenoletherorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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