| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:04 UTC |
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| Update Date | 2025-03-25 00:54:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208277 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O5S |
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| Molecular Mass | 206.0249 |
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| SMILES | CC(CC(=O)SCC(=O)O)C(=O)O |
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| InChI Key | XQSWDLWRESXIIU-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 | thia fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acidsdicarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesmethyl-branched fatty acidsorganic oxidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidmethyl-branched fatty acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativebranched fatty acidcarbothioic s-esterorganic oxidethia fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativefatty acyl thioesterthiolactoneorganooxygen compound |
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