| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:00 UTC |
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| Update Date | 2025-03-25 00:52:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192124 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H28NOS+ |
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| Molecular Mass | 246.1886 |
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| SMILES | CCCCCCCC(=O)SCC[N+](C)(C)C |
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| InChI Key | QVJIHRGKYDLKEW-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 | aminescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssulfenyl compoundstetraalkylammonium saltsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupsulfenyl compoundtetraalkylammonium saltthiocarboxylic acid esterquaternary ammonium saltorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltfatty acyl thioesterthiolactoneamineorganooxygen compound |
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