| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:44 UTC |
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| Update Date | 2025-03-21 18:33:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094958 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C8H13N3O6 |
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| Molecular Mass | 247.0804 |
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| SMILES | NC(=O)NC(CCC(=O)NCC(=O)O)C(=O)O |
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| InChI Key | KSWWTHVZDHAEGT-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdipeptidesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesn-acyl aminesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidorganic oxiden-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonic acid derivativen-carbamoyl-alpha-amino acidcarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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