| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:19 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225152 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N5O9 |
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| Molecular Mass | 385.087 |
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| SMILES | Nc1nc(NC(CC(=O)O)C(=O)O)ncc1C(=O)NC(CC(=O)O)C(=O)O |
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| InChI Key | WNEWWCMDCBADSQ-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyrimidinecarboxylic acids and derivativessecondary alkylarylaminessecondary carboxylic acid amidestetracarboxylic acids and derivativesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundtetracarboxylic acid or derivativespyrimidine-5-carboxylic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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