| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:38 UTC |
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| Update Date | 2025-03-25 00:46:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154991 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H31N5O9P+ |
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| Molecular Mass | 528.1854 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OC[N+](C)(C)C)c2cc1C |
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| InChI Key | IVWSKDJLQIYKAN-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | flavin nucleotides |
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| Subclass | flavin nucleotides |
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| Direct Parent | flavin nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdialkyl phosphatesdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcoholstetraalkylammonium salts |
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| Substituents | lactampyrimidonepteridineisoalloxazineflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundalcoholquinoxalinecarbonic acid derivativetetraalkylammonium saltazacycleflavin nucleotideheteroaromatic compounddialkyl phosphateorganic oxygen compoundphosphoric acid esterpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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