| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:01 UTC |
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| Update Date | 2025-03-25 01:00:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO3S2 |
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| Molecular Mass | 249.0493 |
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| SMILES | C=CCSCSCC(NC(C)=O)C(=O)O |
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| InChI Key | RJPLKAISHTUSDX-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 | acetamidesallyl sulfur compoundsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdithioacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl sulfur compoundorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativethioacetalorganic nitrogen compoundorganooxygen compound |
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