| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:54 UTC |
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| Update Date | 2025-03-25 00:54:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12O6S |
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| Molecular Mass | 212.0355 |
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| SMILES | CC(C)CC(O)(C(=O)O)S(=O)(=O)O |
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| InChI Key | WJVVWNINAJGTDB-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidsshort-chain hydroxy acids and derivativessulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidalpha-hydroxy acidorganosulfonic acidhydroxy acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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