| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:34 UTC |
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| Update Date | 2025-03-25 00:47:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25NO13P+ |
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| Molecular Mass | 470.1058 |
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| SMILES | O=P(O)(OCC1OC([n+]2ccc(O)cc2)C(O)C1O)OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | PIJFNZUDXVUDOZ-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 | pyridine nucleotides |
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| Subclass | pyridine nucleotides |
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| Direct Parent | pyridine nucleotides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxaneprimary alcoholorganoheterocyclic compoundpyridine nucleotidealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacycledialkyl phosphatepyridineorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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