| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:43 UTC |
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| Update Date | 2025-03-21 18:03:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042631 |
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| Frequency | 80.1 |
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| Structure | |
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| Chemical Formula | C22H33N5O9P+ |
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| Molecular Mass | 542.201 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OCC[N+](C)(C)C)c2cc1C |
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| InChI Key | XSSNVOVBBHYJRP-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 | aminesazacyclic compoundsbenzenoidsdialkyl phosphatesdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphosphocholinespyrazinespyrimidonesquinoxalinessecondary alcoholstetraalkylammonium salts |
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| Substituents | lactampyrimidonepteridineisoalloxazineflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundalcoholquinoxalinecarbonic acid derivativetetraalkylammonium saltazacycleflavin nucleotidequaternary ammonium saltheteroaromatic compoundphosphocholinedialkyl phosphateorganic oxygen compoundphosphoric acid esterpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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