| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:33 UTC |
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| Update Date | 2025-03-21 18:41:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133081 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C7H12O3S |
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| Molecular Mass | 176.0507 |
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| SMILES | CSC=C(C)CC(O)C(=O)O |
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| InChI Key | CIDIMBLILNZOAL-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 | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthioenol ethers |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidsulfenyl compoundalpha-hydroxy acidhydroxy acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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