| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:37 UTC |
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| Update Date | 2025-03-21 18:33:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097141 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C7H14NO2S+ |
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| Molecular Mass | 176.074 |
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| SMILES | C[N+]1(C)CSCCC1C(=O)O |
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| InChI Key | WDCNCVIYTIEHHQ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundstetraalkylammonium saltsthiazinanes |
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| Substituents | carbonyl groupcarboxylic acidtetraalkylammonium saltazacycledialkylthioetherorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic salt1,3-thiazinaneorganoheterocyclic compoundorganooxygen compound |
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