| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:11 UTC |
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| Update Date | 2025-03-21 18:36:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113189 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C16H18N4O4S |
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| Molecular Mass | 362.1049 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)CS)c2cc1C |
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| InChI Key | NUDHEFJCDOVDJQ-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 | alloxazines and isoalloxazines |
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| Direct Parent | flavins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkylthiolsazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | lactampyrimidoneorganosulfur compoundflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundalkylthiolorganooxygen compound |
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