| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:50 UTC |
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| Update Date | 2025-03-21 18:03:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047754 |
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| Frequency | 69.6 |
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| Structure | |
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| Chemical Formula | C6H5NO5S |
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| Molecular Mass | 202.9888 |
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| SMILES | O=C(O)C1=NC(C(=O)O)C(=O)SC1 |
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| InChI Key | PYLQDWNASSMNJF-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 | 1,3-dicarbonyl compoundsazacyclic compoundscarbothioic s-lactonescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthioestersthiolactones |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneorganoheterocyclic compoundcarbothioic s-lactonethiocarboxylic acid or derivativesazacyclethiocarboxylic acid esterorganic 1,3-dipolar compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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