| 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 00:59:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239206 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N5O4 |
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| Molecular Mass | 255.0968 |
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| SMILES | Cn1cnc(C(=O)NC(CC(N)=O)C(=O)O)c1N |
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| InChI Key | ZMBRYCJGBRCNMT-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidfatty amide2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl groupasparagine or derivativesorganoheterocyclic compoundazolen-substituted imidazolen-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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