| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:26 UTC |
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| Update Date | 2025-03-21 18:36:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108968 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C8H15NO4S |
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| Molecular Mass | 221.0722 |
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| SMILES | COC(=O)C(CCS(C)=O)NC(C)=O |
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| InChI Key | CEAHBDUFRPVKDG-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 acid estersalpha amino acidscarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfinyl compoundssulfoxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouporganosulfur compoundorganic oxidemethyl estersulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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