| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:12 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H17NO2S |
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| Molecular Mass | 191.098 |
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| SMILES | CC(C)(C)COC(=O)C(N)CS |
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| InChI Key | VROPDGKCGXCLKI-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 | alpha amino acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acid esterscysteine and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalpha-amino acid esterorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativescarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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