| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:42 UTC |
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| Update Date | 2025-03-21 18:36:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109643 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C12H18N2O8P+ |
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| Molecular Mass | 349.0795 |
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| SMILES | COC1C(O)C(COP(=O)(O)O)OC1[n+]1cccc(C(N)=O)c1 |
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| InChI Key | XFKANNBZBQQGNF-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 | azacyclic compoundscarboxylic acids and derivativesdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesetheraromatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatecarboxylic acid derivativedialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundpyridine nucleotidealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacyclepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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