| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:17 UTC |
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| Update Date | 2025-03-21 18:06:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062833 |
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| Frequency | 49.3 |
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| Structure | |
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| Chemical Formula | C7H12N3O5P |
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| Molecular Mass | 249.0515 |
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| SMILES | Cc1nnc(COP(=O)(O)O)c(CN)c1O |
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| InChI Key | KCHBIJQFEYLHEI-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 | monoalkyl phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridazines and derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundmonoalkyl phosphatepyridazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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