| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:58 UTC |
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| Update Date | 2025-03-25 00:58:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230936 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H38O3S |
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| Molecular Mass | 346.2542 |
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| SMILES | CCCCCCCCCCCCCCCC(=O)SCC(O)CO |
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| InChI Key | RGTQOWZFSQEDIL-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 | 1,2-diolscarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcoholssulfenyl compoundsthioestersthiolactones |
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| Substituents | alcoholaliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary alcoholfatty acyl thioesterthiolactoneorganooxygen compound1,2-diol |
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