Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:51:15 UTC |
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Update Date | 2025-03-21 18:02:59 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00041491 |
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Frequency | 82.8 |
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Structure | |
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Chemical Formula | C10H14O4S |
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Molecular Mass | 230.0613 |
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SMILES | CC1=C(CCCCC(=O)O)S(=O)(=O)C=C1 |
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InChI Key | HFPHBWBYEXWUBU-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 | carbonyl compoundscarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganoheterocyclic compoundssulfonesthiophene sulfoxides |
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Substituents | carbonyl groupcarboxylic acidheterocyclic fatty acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundthiophene sulfoxidehydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compoundsulfone |
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