| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:50 UTC |
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| Update Date | 2025-03-21 18:35:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107496 |
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| Frequency | 33.1 |
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| Structure | |
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| Chemical Formula | C12H12N6O6 |
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| Molecular Mass | 336.0818 |
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| SMILES | Nc1nc2ncc(C(=O)NC(CCC(=O)O)C(=O)O)nc2c(=O)[nH]1 |
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| InChI Key | RJRIMURONXSYMF-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 | 2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespterins and derivativespyrazinecarboxamidespyrimidonessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidonepteridine2-heteroaryl carboxamidepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativespyrazinecarboxamidepterinazacyclen-acyl-alpha-amino acidheteroaromatic compoundglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrazinedicarboxylic acid or derivativespyrazine carboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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