| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:25 UTC |
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| Update Date | 2025-03-21 18:02:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039514 |
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| Frequency | 88.0 |
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| Structure | |
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| Chemical Formula | C17H22N5O8P |
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| Molecular Mass | 455.1206 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(N)COP(=O)(O)O)c2cc1C |
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| InChI Key | LMABSOBEKSAYCW-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-diolsazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphosphoethanolaminespyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | lactampyrimidoneflavinpyrimidinephosphoethanolamineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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