| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:05 UTC |
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| Update Date | 2025-03-21 18:30:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081603 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O4 |
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| Molecular Mass | 228.0859 |
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| SMILES | O=C(O)CCC1NC(=O)NC2NC(=O)NC12 |
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| InChI Key | YHIOUZAFZPZPCQ-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purinones |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdiazinaneshydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidones |
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| Substituents | imidazolidinecarbonyl groupcarbonic acid derivativecarboxylic acidazacyclepyrimidonecarboxylic acid derivativepurinonepyrimidinealiphatic heteropolycyclic compound1,3-diazinaneimidazolidinoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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