| 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 | DMID02162034 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO3S |
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| Molecular Mass | 197.0147 |
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| SMILES | O=C(O)C1CSC(c2ccco2)=N1 |
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| InChI Key | PGXJUHMDXPAWLA-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesimidothiolactonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | furancarbonyl groupcarboxylic acidmeta-thiazolinearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidothiolactoneorganoheterocyclic compoundorganooxygen compound |
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