| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:30 UTC |
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| Update Date | 2025-03-21 18:01:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034920 |
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| Frequency | 102.6 |
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| Structure | |
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| Chemical Formula | C11H18N2O8 |
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| Molecular Mass | 306.1063 |
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| SMILES | NC(CCC(=O)NC(CCC(O)C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | OTUKPOHBJCEKGU-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 acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglutamine and derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharidesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesalpha-hydroxy acidfatty amidemonosaccharidetricarboxylic acid or derivativesalpha-amino acid or derivativessaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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