| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:21 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202049 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O7S |
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| Molecular Mass | 240.0304 |
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| SMILES | CS(=O)(=O)CC(O)(CC(=O)O)CC(=O)O |
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| InChI Key | QZNCJESVERCIDY-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 acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesshort-chain hydroxy acids and derivativessulfonestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidtertiary alcoholorganic oxidethia fatty acidsulfonylorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compoundsulfone |
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