| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:16 UTC |
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| Update Date | 2025-03-25 00:57:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N6O5 |
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| Molecular Mass | 294.0713 |
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| SMILES | Nc1ncnc2c(C(=O)NC(CC(=O)O)C(=O)O)n[nH]c12 |
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| InChI Key | YMCWFPBUDGFXDV-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 | 2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyrazolespyrazolopyrimidinespyrimidines and pyrimidine derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid2-heteroaryl carboxamidepyrazolepyrimidineorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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