| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:58 UTC |
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| Update Date | 2025-03-21 18:34:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102912 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C10H10N6O4 |
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| Molecular Mass | 278.0764 |
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| SMILES | Nc1ncnc2c(NC(CC(=O)O)C(=O)O)ncnc12 |
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| InChI Key | BHCMAGWAZUMMRM-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 derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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