| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:56 UTC |
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| Update Date | 2025-03-21 18:34:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102827 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C28H35N6O16P2+ |
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| Molecular Mass | 773.1579 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(N)=O)c4)C(O)C3O)c2cc1C |
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| InChI Key | CJLAXGXFSUIVRW-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 compoundsbenzenoidscarboxylic acids and derivativesdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyrazinespyridine nucleotidespyridinecarboxylic acids and derivativespyrimidonesquinoxalinessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativeslactampentose phosphatenicotinamidemonosaccharidepentose-5-phosphatepyrimidonepteridinecarboxylic acid derivativeisoalloxazineflavinpyrimidinesaccharideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundpyridine nucleotidealcoholquinoxalinevinylogous amidecarbonic acid derivativeazacycleflavin nucleotidetetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide grouporganic pyrophosphateoxacyclepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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