| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:17 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179152 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O3S2 |
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| Molecular Mass | 310.0446 |
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| SMILES | CSSC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | RHQJGCMKIAYAMO-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 derivativesindolesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfenyl compoundsthiolactones |
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| Substituents | carbonyl groupcarboxylic acidindoleorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneorganoheterocyclic compoundcarbonic acid derivativesulfenyl compoundazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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