| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:16 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O2S |
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| Molecular Mass | 264.0932 |
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| SMILES | Cc1cc2nc(CSCCC(=O)O)[nH]c2cc1C |
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| InChI Key | LEYDFCJLRZEGSI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundthioetherbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
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