| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:31 UTC |
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| Update Date | 2025-03-21 18:03:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042157 |
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| Frequency | 81.2 |
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| Structure | |
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| Chemical Formula | C16H17N5O4 |
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| Molecular Mass | 343.1281 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCC(N)C(=O)O)c2cc1C |
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| InChI Key | RVBFJAYDPKVCSG-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 | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalines |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativeflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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