| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:08 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181116 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N6O5 |
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| Molecular Mass | 308.0869 |
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| SMILES | O=C(O)CC(NC(=O)CNc1ncnc2nc[nH]c12)C(=O)O |
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| InChI Key | KQLVWPODWFXYMG-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundsecondary aminecarboxamide groupn-substituted-alpha-amino acidsecondary aliphatic/aromatic aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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