| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:59 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16NO2S+ |
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| Molecular Mass | 190.0896 |
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| SMILES | C[N+]1(C)CCSC1CCC(=O)O |
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| InChI Key | JOBROXWVYWJEBA-UHFFFAOYSA-O |
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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 acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundstetraalkylammonium saltsthiazolidines |
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| Substituents | carbonyl groupcarboxylic acidtetraalkylammonium saltazacycledialkylthioethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganoheterocyclic compoundorganooxygen compoundthiazolidine |
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