| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:26 UTC |
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| Update Date | 2025-03-25 00:49:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174889 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21NO2S |
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| Molecular Mass | 303.1293 |
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| SMILES | CCCC=CC=CC(=O)SCCN=C(O)c1ccccc1 |
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| InChI Key | KSAMCEXUAAEYBC-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarbothioic s-esterscarboximidic acidscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganic 1,3-dipolar compoundorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundfatty acyl thioesterthiolactoneorganooxygen compound |
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