| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:46 UTC |
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| Update Date | 2025-03-25 01:01:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO3S |
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| Molecular Mass | 163.0303 |
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| SMILES | CCC(CSN=O)C(=O)O |
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| InChI Key | TYXCAYOVBMVCER-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 | branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrosothiolsorganic nitrogen compoundsorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic nitroso compoundcarboxylic acidsulfenyl compoundorganosulfur compoundcarboxylic acid derivativebranched fatty acidnitrosothiolorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic s-nitroso compoundnitrosothiol-group |
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