| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:32 UTC |
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| Update Date | 2025-03-25 00:54:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209375 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O3S |
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| Molecular Mass | 200.0507 |
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| SMILES | CC1=C(CCCC(=O)O)C(=O)SC1 |
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| InChI Key | XRAJPVCMGZYZSW-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 | heterocyclic fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-lactonescarboxylic acidsdihydrothiophenesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthioestersthiolactones |
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| Substituents | carbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupcarboxylic acidheterocyclic fatty acidthiocarboxylic acid ester2,5-dihydrothiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativethiolactoneorganoheterocyclic compoundorganooxygen compound |
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