| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:56 UTC |
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| Update Date | 2025-03-21 18:30:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081275 |
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| Frequency | 35.7 |
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| Structure | |
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| Chemical Formula | C8H13NO4S |
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| Molecular Mass | 219.0565 |
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| SMILES | CCC(=O)SCC(NC(C)=O)C(=O)O |
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| InChI Key | HAKKODWIPTZLCC-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 compoundscarbothioic s-esterscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneacetamidethiocarboxylic acid or derivativessulfenyl compoundn-acyl-alpha-amino acidthiocarboxylic acid estercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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