| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:19 UTC |
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| Update Date | 2025-03-21 18:03:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046530 |
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| Frequency | 72.0 |
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| Structure | |
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| Chemical Formula | C11H20N2O5S2 |
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| Molecular Mass | 324.0814 |
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| SMILES | CC(=O)NC(CSC(=O)NCCCCS(C)=O)C(=O)O |
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| InChI Key | SXINRUPAZWRKNG-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 acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxidesthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneacetamidecarbonic acid derivativesulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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