| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:35 UTC |
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| Update Date | 2025-03-25 00:58:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232337 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12O4S |
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| Molecular Mass | 180.0456 |
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| SMILES | CCC(O)(CS(C)=O)C(=O)O |
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| InChI Key | XJOUYCFUXRZAIX-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 | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesshort-chain hydroxy acids and derivativessulfinyl compoundssulfoxidestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidhydroxy acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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