| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:16 UTC |
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| Update Date | 2025-03-21 18:32:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091421 |
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| Frequency | 30.7 |
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| Structure | |
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| Chemical Formula | C9H12N4O6 |
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| Molecular Mass | 272.0757 |
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| SMILES | NC(=O)CCC(NC(=O)C1NC(=O)NC1=O)C(=O)O |
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| InChI Key | YLXNUKAKQMKXEX-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsazacyclic compoundscarboxylic acidsdicarboximidesfatty amidesglutamine and derivativesheterocyclic fatty acidshydantoinshydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | imidazolidineprimary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesheterocyclic fatty acidfatty amidefatty acidalpha-amino acid or derivativesimidazolidinoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideorganoheterocyclic compoundn-acyl-alpha amino acid or derivativescarbonic acid derivativeazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydantoinhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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