| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:36 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184396 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO3S2 |
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| Molecular Mass | 271.0337 |
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| SMILES | NC(CSSCC(=O)c1ccccc1)C(=O)O |
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| InChI Key | MSXBLMTZSSJXMZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidscysteine and derivativesdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundaromatic homomonocyclic compounddialkyldisulfidemonocarboxylic acid or derivativesorganic disulfidecysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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