| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:32 UTC |
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| Update Date | 2025-03-25 00:58:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229946 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16O5S |
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| Molecular Mass | 248.0718 |
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| SMILES | CCCCCC(SCC(=O)C(=O)O)C(=O)O |
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| InChI Key | PWDQXADOSNYSAP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidethia fatty acidorganic oxygen compoundthioetheralpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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