| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:05 UTC |
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| Update Date | 2025-03-25 00:54:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203729 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O5S |
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| Molecular Mass | 258.0562 |
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| SMILES | O=C(O)CCCCC1=C(CC(=O)O)C(=O)CS1 |
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| InChI Key | UISQBCSPXOIVDW-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acidscyclic ketonesdicarboxylic acids and derivativesdihydrothiophenesfatty acylsheterocyclic fatty acidshydrocarbon derivativesorganic oxidesthioenol ethersvinylogous thioesters |
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| Substituents | vinylogous thioestercarbonyl groupcarboxylic acid2,3-dihydrothiopheneheterocyclic fatty acidcyclic ketonecarboxylic acid derivativeketoneorganic oxidethioenoletherorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compound |
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