| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:23 UTC |
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| Update Date | 2025-03-21 18:34:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101463 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C11H18N2O14P3+ |
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| Molecular Mass | 494.9965 |
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| SMILES | NC(=O)c1cc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)cc1 |
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| InChI Key | VXYJYLHQVKHEHB-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 compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofurans |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compound1,2-diolpyridine nucleotidealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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