| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:43 UTC |
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| Update Date | 2025-03-21 18:36:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112107 |
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| Frequency | 23.7 |
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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(C2OC(CO)C(OP(=O)(O)O)C2O)C=CC1 |
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| InChI Key | VXJROVUGMYNTEA-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouppentose phosphatenicotinamidecarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofurancarboxamide groupn-substituted nicotinamideoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateenamine |
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