| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:06 UTC |
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| Update Date | 2025-03-25 00:54:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203746 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O8 |
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| Molecular Mass | 332.122 |
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| SMILES | O=C(O)CCCCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)O |
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| InChI Key | IQXPHAFJDHLTCH-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 acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdipeptidesglutamic acid and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidetricarboxylic acid or derivativesalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amideglutamic acid or derivativescarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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