| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:44 UTC |
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| Update Date | 2025-03-21 18:02:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037949 |
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| Frequency | 92.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O5 |
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| Molecular Mass | 244.0808 |
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| SMILES | NC(CCC(=O)NC1NC(=O)NC1=O)C(=O)O |
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| InChI Key | YLSYWRYPCYBFTJ-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 | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboximidesglutamine and derivativesheterocyclic fatty acidshydantoinshydrocarbon derivativesimidazolidinonesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | imidazolidinefatty 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 groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydantoinhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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