| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:49 UTC |
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| Update Date | 2025-03-21 17:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017149 |
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| Frequency | 247.0 |
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| Structure | |
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| Chemical Formula | C10H20N2O4S |
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| Molecular Mass | 264.1144 |
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| SMILES | CC(C)C(N)C(=O)NC(CCS(C)=O)C(=O)O |
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| InChI Key | IWVIMZWOKNCJOY-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfinyl compoundssulfoxidesthia fatty acidsvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativescarboxamide groupbranched fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfoxidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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