| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:29 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N2O13P2+ |
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| Molecular Mass | 487.0513 |
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| SMILES | NC(CP(=O)(O)OP(=O)(O)OCC1OC([n+]2cccc(C(=O)O)c2)C(O)C1O)C(=O)O |
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| InChI Key | AZOOIRGJPBLKHA-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-diolsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganic phosphonic acids and derivativesorganonitrogen compoundsorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyridine-3-carboxylic acidssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepyridine-3-carboxylic acidmonosaccharidepentose-5-phosphatealpha-amino acid or derivativescarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganophosphorus compoundorganic cationorganophosphonic acid derivativeorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinenicotinic-acid-nucleotideoxacyclepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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