| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:36:11 UTC |
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| Update Date | 2025-03-21 17:57:14 UTC |
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| HMDB ID | HMDB0042032 |
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| Metabolite Identification |
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| DeepMet ID | DMID00006539 |
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| Name | Thiodiacetic acid |
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| Frequency | 788.0 |
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| Structure | |
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| Chemical Formula | C4H6O4S |
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| Molecular Mass | 149.9987 |
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| SMILES | O=C(O)CSCC(=O)O |
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| InChI Key | UVZICZIVKIMRNE-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 | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | thiodiacetic acid derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundthiodiacetic_acidcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxideorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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