| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:42 UTC |
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| Update Date | 2025-03-25 00:50:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180107 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O2S |
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| Molecular Mass | 227.0728 |
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| SMILES | Cc1cc(C)nc(SCC(N)C(=O)O)n1 |
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| InChI Key | IHXWEMFISVCQJV-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalkylarylthioetherorganosulfur compoundaryl thioetherpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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