| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:50 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO3S |
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| Molecular Mass | 175.0303 |
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| SMILES | O=C(O)C1CC(S)CC(O)=N1 |
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| InChI Key | WIMZIRXANSPBKN-UHFFFAOYSA-N |
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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 | alkylthiolsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | carbonyl groupcarboxylic acidazacycletetrahydropyridineorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidalkylthiolorganoheterocyclic compoundorganooxygen compound |
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