| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:17 UTC |
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| Update Date | 2025-03-21 18:39:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125339 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C11H19NO3S |
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| Molecular Mass | 245.1086 |
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| SMILES | CCCCCC=CC(=O)SCC(N)C(=O)O |
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| InChI Key | DDTHETFFMFUXEV-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 compoundcarbonyl groupthiocarboxylic acid or derivativescarboxylic 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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