| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:27 UTC |
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| Update Date | 2025-03-21 18:06:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065612 |
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| Frequency | 46.6 |
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| Structure | |
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| Chemical Formula | C12H17NO8P+ |
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| Molecular Mass | 334.0686 |
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| SMILES | CC(=O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1 |
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| InChI Key | OKXLYEWHVJAEFT-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 | 1,2-diolsaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphateketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compound1,2-diolpyridine nucleotidealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridineoxacyclepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundaryl ketone |
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