| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:49 UTC |
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| Update Date | 2025-03-21 18:06:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061768 |
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| Frequency | 50.4 |
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| Structure | |
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| Chemical Formula | C18H23N5O4 |
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| Molecular Mass | 373.175 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)CN(C)C)c2cc1C |
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| InChI Key | XDCYALRWBXKAFJ-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-aminoalcohols1,2-diols1,3-aminoalcoholsazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcoholstrialkylamines |
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| Substituents | lactampyrimidoneflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amine1,2-diolalcoholquinoxalinecarbonic acid derivative1,3-aminoalcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic amineorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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