| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:38 UTC |
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| Update Date | 2025-03-25 00:49:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175332 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H19NO2S |
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| Molecular Mass | 217.1136 |
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| SMILES | CCCCC=CC(O)C(=O)SCCN |
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| InChI Key | UZSDMAOBNRJBRO-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 | carbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundsthioestersthiolactones |
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| Substituents | alcoholaliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundfatty acyl thioesterthiolactoneorganooxygen compound |
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