| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:33 UTC |
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| Update Date | 2025-03-21 18:00:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027947 |
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| Frequency | 135.3 |
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| Structure | |
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| Chemical Formula | C8H15NO3S |
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| Molecular Mass | 205.0773 |
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| SMILES | COC(=O)C(CCSC)NC(C)=O |
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| InChI Key | YVMKSJIMTATAAS-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 | methionine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid estersalpha amino acidscarbonyl compoundsdialkylthioethersfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouporganosulfur compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid estern-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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