| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:00 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196603 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O3S |
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| Molecular Mass | 204.082 |
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| SMILES | CCC(CCSCC(C)=O)C(=O)O |
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| InChI Key | ZOWCGUDEDNJRRO-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 | branched fatty acidscarboxylic acidsdialkylthioethershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativebranched fatty acidketoneorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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