| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:07 UTC |
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| Update Date | 2025-03-21 18:04:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053032 |
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| Frequency | 61.1 |
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| Structure | |
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| Chemical Formula | C7H15NO2S |
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| Molecular Mass | 177.0824 |
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| SMILES | CCOC(=O)C(N)CCSC |
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| InChI Key | ARJXIGOIOGJAKR-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 | alpha amino acid estersalpha amino acidscarbonyl compoundscarboxylic acid estersdialkylthioethersfatty acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupsulfenyl compoundalpha-amino acid esterdialkylthioetherorganosulfur compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estermethionine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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