| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:13 UTC |
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| Update Date | 2025-03-25 00:51:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185813 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N5O6 |
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| Molecular Mass | 337.1022 |
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| SMILES | Nc1nc2c(CC(=O)NC(CCC(=O)O)C(=O)O)c[nH]c2c(=O)[nH]1 |
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| InChI Key | LABNEPPLSXXPLD-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 compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyrimidonespyrrolespyrrolopyrimidinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidonepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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