| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:54 UTC |
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| Update Date | 2025-03-25 00:53:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO3S |
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| Molecular Mass | 203.0616 |
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| SMILES | CCC(=O)C(=O)SCCNC(C)=O |
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| InChI Key | YOWGFAHUFADYFQ-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 acyl thioesters |
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| Direct Parent | fatty acyl thioesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidescarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxamide groupcarboxylic acid derivativecarbothioic s-esterketonesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundfatty acyl thioesterthiolactoneacetamideorganooxygen compound |
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