| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:23 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163334 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO10P+ |
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| Molecular Mass | 378.0585 |
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| SMILES | O=C(O)C(=O)Cc1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1 |
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| InChI Key | IXFSDHPXOTWQTP-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-diolsalpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganic cationorganoheterocyclic compound1,2-diolpyridine nucleotidealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphateketo acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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