| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:40 UTC |
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| Update Date | 2025-03-25 00:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N6O4 |
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| Molecular Mass | 294.1077 |
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| SMILES | Nc1ncnc2c1ncn2CCNC(CC(=O)O)C(=O)O |
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| InChI Key | PFWCOGQGGYGSBI-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 acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsn-substituted imidazolesorganic oxidesorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolesecondary aliphatic amineazacycleheteroaromatic compoundsecondary amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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