| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:11 UTC |
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| Update Date | 2025-03-21 18:28:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072162 |
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| Frequency | 41.5 |
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| Structure | |
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| Chemical Formula | C13H21NO3S |
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| Molecular Mass | 271.1242 |
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| SMILES | CC(=CSCC(N)C(=O)O)CC1(O)C=CCCC1 |
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| InChI Key | CWUFMJLJEXVAFC-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary alcoholsthioenol ethers |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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