| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:38:05 UTC |
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| Update Date | 2025-03-21 17:57:54 UTC |
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| HMDB ID | HMDB0246487 |
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| Metabolite Identification |
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| DeepMet ID | DMID00011011 |
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| Name | 4-Mercaptobutyric acid |
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| Frequency | 423.2 |
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| Structure | |
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| Chemical Formula | C4H8O2S |
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| Molecular Mass | 120.0245 |
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| SMILES | O=C(O)CCCS |
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| InChI Key | DTRIDVOOPAQEEL-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 | alkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsstraight chain fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativealkylthiolorganooxygen compound |
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