| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:14 UTC |
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| Update Date | 2025-03-21 18:35:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103576 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C9H17NO3S |
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| Molecular Mass | 219.0929 |
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| SMILES | CCCCCC(=O)SCC(N)C(=O)O |
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| InChI Key | XYDICGVWPJLSKE-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acyl thioestershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarbothioic s-esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundfatty acyl thioesterthiolactoneorganooxygen compound |
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