| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:47 UTC |
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| Update Date | 2025-03-25 01:01:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251206 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N2O5P |
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| Molecular Mass | 246.0406 |
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| SMILES | O=c1ccn(CC=CCP(=O)(O)O)c(=O)[nH]1 |
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| InChI Key | GXKCIWVPHHHYHS-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 derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganic phosphonic acids and derivativesorganonitrogen compoundsorganooxygen compoundsorganophosphorus compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundhydrocarbon derivativeorganic nitrogen compoundorganophosphonic acid derivativeorganooxygen compound |
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