| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:08 UTC |
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| Update Date | 2025-03-21 18:41:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132118 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C11H17N2O8P |
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| Molecular Mass | 336.0723 |
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| SMILES | NC(=O)C1=CN(C2C(O)OC(COP(=O)(O)O)C2O)C=CC1 |
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| InChI Key | KUDGYNSIKONWKA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshemiacetalshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholstetrahydrofuranstrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouppentose phosphateamino acid or derivativesnicotinamidepentose-5-phosphatecarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldihydropyridinetertiary amineorganoheterocyclic compoundalcoholvinylogous amideazacycle1,2-aminoalcoholtetrahydrofurantertiary aliphatic aminecarboxamide groupn-substituted nicotinamideoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateenamine |
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