| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:35 UTC |
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| Update Date | 2025-03-25 00:57:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223527 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H31N2O14P |
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| Molecular Mass | 542.1513 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(OC3OC(CO)C(O)C(O)C3O)C(O)CO)C(O)C2O)C=CC1 |
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| InChI Key | UPLBSQNYPBCATG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | n-substituted nicotinamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl alkylphosphonatesdihydropyridinesenamineshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphosphonic acid estersprimary alcoholsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidedialkyl alkylphosphonatecarbonyl groupmonosaccharidecarboxylic acid derivativephosphonic acid estersaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganophosphorus compounddihydropyridineoxaneprimary alcoholorganophosphonic acid derivativealcoholvinylogous amideazacycletetrahydrofuranphosphonic acid diestercarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundenamine |
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