| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:08 UTC |
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| Update Date | 2025-03-21 18:38:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122669 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C11H13N3O3S |
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| Molecular Mass | 267.0678 |
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| SMILES | COc1ccc2nc(SCC(N)C(=O)O)[nH]c2c1 |
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| InChI Key | XATYJPFJCCNIQF-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 heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkylarylthioethersalpha amino acidsanisolesazacyclic compoundsbenzimidazolescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidalkyl aryl etheralkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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