| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:05 UTC |
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| Update Date | 2025-03-25 00:45:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151344 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O5S |
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| Molecular Mass | 261.0419 |
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| SMILES | Cn1c(N)c(C(=O)CS(C)(=O)=O)c(=O)[nH]c1=O |
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| InChI Key | KAMYPADICMURQC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonessulfonesvinylogous amides |
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| Substituents | lactamaryl alkyl ketonearomatic heteromonocyclic compoundpyrimidoneorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsulfonylhydrocarbon derivativeprimary amineorganic nitrogen compoundaminesulfone |
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