Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:53:45 UTC |
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Update Date | 2025-03-21 18:03:57 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00047570 |
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Frequency | 132.0 |
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Structure | |
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Chemical Formula | C9H14N3O6PS |
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Molecular Mass | 323.0341 |
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SMILES | Nc1ccn(C2CC(O)C(COP(=O)(O)S)O2)c(=O)n1 |
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InChI Key | FHBXKBNKQMSUIJ-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 | diazines |
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Subclass | pyrimidines and pyrimidine derivatives |
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Direct Parent | pyrimidones |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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Substituents | alcoholcarbonic acid derivativearomatic heteromonocyclic compoundazacycletetrahydrofuranheteroaromatic compoundmonosaccharidepyrimidoneoxacyclesaccharideorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compound |
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