| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:03 UTC |
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| Update Date | 2025-03-25 00:46:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155950 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O3S2 |
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| Molecular Mass | 232.0228 |
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| SMILES | CC(=O)C1SSC(CCC(=O)O)=C1C |
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| InChI Key | HSZWTNVIDAQTJA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolescarboxylic acidsfatty acylshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic disulfidesorganic oxides |
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| Substituents | 1,2-dithiolecarbonyl groupcarboxylic acidcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidealiphatic heteromonocyclic compounddithiolehydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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