| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:36 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248476 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N5O6 |
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| Molecular Mass | 323.0866 |
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| SMILES | Cn1cc(C(=O)NC(CC(=O)O)C(=O)O)c2nc(N)[nH]c(=O)c21 |
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| InChI Key | QLWWERRWCDRRML-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-acyl-alpha amino acidsn-methylpyrrolesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonespyrrole carboxamidespyrrolopyrimidinessecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | carbonyl groupn-methylpyrrolelactamcarboxylic acidpyrrole-3-carboxylic acid or derivativesamino acidpyrimidonesubstituted pyrrolepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyrrole-3-carboxamidealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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