| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:14:12 UTC |
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| Update Date | 2025-03-21 18:33:30 UTC |
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| HMDB ID | HMDB0259000 |
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| Metabolite Identification |
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| DeepMet ID | DMID00096091 |
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| Name | Thioapfelsaure |
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| Frequency | 47.2 |
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| Structure | |
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| Chemical Formula | C4H6O3S |
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| Molecular Mass | 134.0038 |
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| SMILES | O=C(O)CCC(O)=S |
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| InChI Key | QPHPUQJVKQXISS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | short-chain hydroxy acids and derivatives |
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| Direct Parent | short-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbodithioic acidscarbonyl compoundscarbothioic o-acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesstraight chain fatty acidsthiocarbonyl compoundsthiocarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupstraight chain fatty acidcarboxylic acidshort-chain hydroxy acidthiocarbonyl groupfatty acidcarbodithioic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarbothioic o-acidhydrocarbon derivativeorganooxygen compound |
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