| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:37 UTC |
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| Update Date | 2025-03-25 00:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11N5O5 |
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| Molecular Mass | 281.076 |
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| SMILES | Cn1cnc2c(NC(CC(=O)O)C(=O)O)nc(O)nc21 |
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| InChI Key | LOQRJNVJUSJQIV-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesimidolactamsn-substituted imidazolesorganic oxidesorganopnictogen compoundspurines and purine derivativessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidhydroxypyrimidineimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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