| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:14 UTC |
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| Update Date | 2025-03-21 18:36:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113344 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C13H21N3O8P+ |
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| Molecular Mass | 378.1061 |
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| SMILES | NCCOP(=O)(O)OCC1OC([n+]2cccc(C(N)=O)c2)C(O)C1O |
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| InChI Key | JUPYDMWZSADOOO-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 derivativesdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphoethanolaminesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatecarboxylic acid derivativephosphoethanolaminesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compound1,2-diolpyridine nucleotidealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacycledialkyl phosphatepyridineorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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