| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:33 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179770 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11N5O3S |
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| Molecular Mass | 317.0583 |
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| SMILES | CS(=O)(=O)c1ccc(-c2cnc3nc(N)[nH]c(=O)c3n2)cc1 |
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| InChI Key | ZNSVKZFDCOEIJS-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 | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrazinespyrimidonessulfones |
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| Substituents | monocyclic benzene moietylactampyrimidoneorganosulfur compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl grouppterinazacycleheteroaromatic compoundsulfonylorganic oxygen compoundpyrazinehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compoundsulfone |
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