| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:32 UTC |
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| Update Date | 2025-03-21 18:40:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128323 |
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| Frequency | 19.9 |
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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(=O)CCCCC(=O)O |
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| InChI Key | PJLOSBRJCBHFNQ-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 acyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acyl thioestershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesstraight chain fatty acidssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupstraight chain fatty acidcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidfatty acyl thioesterthiolactoneorganooxygen compound |
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