| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:22 UTC |
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| Update Date | 2025-03-21 17:58:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011704 |
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| Frequency | 393.2 |
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| Structure | |
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| Chemical Formula | C11H16NO12P2+ |
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| Molecular Mass | 416.0142 |
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| SMILES | O=C(O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c1 |
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| InChI Key | MERPJQGSDUHGNO-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 | nicotinic acid nucleotides |
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| Direct Parent | nicotinic acid nucleotides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyridine-3-carboxylic acidssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepyridine-3-carboxylic acidmonosaccharidepentose-5-phosphatecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinenicotinic-acid-nucleotideorganic pyrophosphateoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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