| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:32 UTC |
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| Update Date | 2025-03-21 17:58:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012068 |
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| Frequency | 393.2 |
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| Structure | |
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| Chemical Formula | C12H19N3O8 |
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| Molecular Mass | 333.1172 |
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| SMILES | NC(CCC(=O)NC(CCC(=O)NCC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | NIONSJJVMOKEQC-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 | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl glycinesalpha amino acidscarbonyl compoundscarboxylic acidsglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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