| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:57:32 UTC |
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| Update Date | 2025-03-24 20:58:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01627605 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C27H33N6O22P3 |
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| Molecular Mass | 886.0861 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4c(C(=O)O)cc(=O)[nH]c4=O)C(O)C3O)c2cc1C |
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| InChI Key | NTISWSTWWMBQTN-UHFFFAOYSA-N |
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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 acidsdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrazinespyrimidine ribonucleoside triphosphatespyrimidinecarboxylic acidspyrimidonesquinoxalinessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | pyrimidine ribonucleoside triphosphatelactamcarboxylic acidpentose phosphatemonosaccharidepentose-5-phosphatepyrimidonepteridinecarboxylic acid derivativeisoalloxazineflavinpyrimidinesaccharideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidorganoheterocyclic compoundalcoholquinoxalinevinylogous amidecarbonic acid derivativeazacycleflavin nucleotidetetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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