| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:05 UTC |
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| Update Date | 2025-03-21 18:04:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050675 |
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| Frequency | 64.7 |
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| Structure | |
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| Chemical Formula | C15H20N2O12P+ |
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| Molecular Mass | 451.0748 |
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| SMILES | O=C(O)CC(NC(=O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1)C(=O)O |
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| InChI Key | HGNWQHOWTRAWPC-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-diolsalpha amino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesn-acyl-alpha amino acidsnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyridinecarboxylic acids and derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatealpha-amino acid or derivativescarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compound1,2-dioln-acyl-alpha amino acid or derivativespyridine nucleotidealcoholvinylogous amideazacyclen-acyl-alpha-amino acidtetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclesecondary carboxylic acid amidepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphateaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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