| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:32 UTC |
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| Update Date | 2025-03-21 18:30:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082681 |
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| Frequency | 34.9 |
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| Structure | |
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| Chemical Formula | C7H12O5S |
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| Molecular Mass | 208.0405 |
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| SMILES | CSCCC(O)(CC(=O)O)C(=O)O |
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| InChI Key | FZNWJRXTACKOPU-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 derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesshort-chain hydroxy acids and derivativessulfenyl compoundstertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidsulfenyl compounddialkylthioetheralpha-hydroxy acidhydroxy acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidtertiary alcoholorganic oxidethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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