| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:29 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252780 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O4S |
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| Molecular Mass | 292.0518 |
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| SMILES | NC(Cc1c[nH]c2c1-c1ccccc1S2(=O)=O)C(=O)O |
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| InChI Key | YUZOASYUIFBENM-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfones |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundsulfone |
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