| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:59 UTC |
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| Update Date | 2025-03-21 18:32:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093165 |
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| Frequency | 30.0 |
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| Structure | |
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| Chemical Formula | C6H11NO3S |
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| Molecular Mass | 177.046 |
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| SMILES | COC(=O)C(CS)NC(C)=O |
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| InChI Key | QTKAQJWFVXPIFV-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 acid estersalpha amino acidscarbonyl compoundscysteine and derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganosulfur compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativescarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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