| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:57 UTC |
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| Update Date | 2025-03-25 00:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237717 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9N5O5 |
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| Molecular Mass | 255.0604 |
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| SMILES | Nc1ncnc(NC(CC(=O)O)C(=O)O)c1N=O |
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| InChI Key | GKNYYGRBDNZTAX-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 compoundsc-nitroso compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundorganic nitroso compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesc-nitroso compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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