| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:24 UTC |
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| Update Date | 2025-03-21 18:04:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051390 |
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| Frequency | 63.6 |
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| Structure | |
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| Chemical Formula | C8H13NO5S |
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| Molecular Mass | 235.0514 |
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| SMILES | CCOC(=O)SCC(NC(C)=O)C(=O)O |
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| InChI Key | QDCAANAZWYJSMB-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 derivativesmonothioacetalsorganic carbonic acids and derivativesorganic oxidesorganic thiocarbonic acid derivativesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidthiocarbonic acid derivativeorganosulfur compoundmonothioacetalorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneacetamidecarbonic acid derivativesulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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