| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:45 UTC |
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| Update Date | 2025-03-25 00:47:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159642 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O8P+ |
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| Molecular Mass | 335.0639 |
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| SMILES | O=CNc1cc[n+](C2OC(COP(=O)(O)O)C(O)C2O)cc1 |
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| InChI Key | HZSZSQWQDRKUTG-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-diolsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesn-arylamidesorganic cationsorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphaten-arylamidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compound1,2-diolpyridine nucleotidealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclesecondary carboxylic acid amidepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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