| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:17 UTC |
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| Update Date | 2025-03-21 18:40:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130112 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C17H16N6O6 |
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| Molecular Mass | 400.1131 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(Nc2nc(=O)c3[nH]cnc3[nH]2)cc1)C(=O)O |
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| InChI Key | BRKQJXPBOZGVSP-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativeshypoxanthinesimidazolesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidonessecondary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylpyrimidoneimidazopyrimidinebenzamidepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshypoxanthinehydrocarbon derivativebenzenoidpurineorganic nitrogen compoundorganooxygen compoundamine |
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