| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:10 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151529 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11N2O6P |
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| Molecular Mass | 250.0355 |
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| SMILES | Cn1cncc1CC(O)C(=O)OP(=O)(O)O |
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| InChI Key | PJBYEVACUYICTH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | acyl monophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl grouparomatic heteromonocyclic compoundazacycleacyl monophosphateheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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