| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:02 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N6O5 |
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| Molecular Mass | 308.0869 |
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| SMILES | Cn1cnc2c(NC(=O)NC(CC(=O)O)C(=O)O)ncnc21 |
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| InChI Key | RTAPWXSFFFOBRN-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsn-carbamoyl-alpha amino acidsn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivatives |
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| Substituents | carbonyl groupcarboxylic acidimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazolen-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolecarbonic acid derivativeazacyclen-carbamoyl-alpha-amino acidheteroaromatic compoundorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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