| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:40 UTC |
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| Update Date | 2025-03-21 18:38:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121577 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C9H12O4S |
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| Molecular Mass | 216.0456 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)CCS1 |
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| InChI Key | MWHVWGSJBUKMAL-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 | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrothiophenesfatty acylshydrocarbon derivativesorganic oxidesthioenol ethers |
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| Substituents | carbonyl groupcarboxylic acid2,3-dihydrothiophenecarboxylic acid derivativeorganic oxidethia fatty acidthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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