| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:34 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207100 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O4S |
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| Molecular Mass | 309.0783 |
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| SMILES | O=C(O)C1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC1 |
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| InChI Key | ZELUGENYOZEKPN-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 acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespiperidinecarboxylic acidspiperidinessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidineazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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