| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:25 UTC |
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| Update Date | 2025-03-21 18:35:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106445 |
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| Frequency | 49.8 |
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| Structure | |
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| Chemical Formula | C9H14N2O7 |
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| Molecular Mass | 262.0801 |
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| SMILES | O=C(O)CNC(=O)CCC(NCC(=O)O)C(=O)O |
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| InChI Key | VDBOXSAXPYHSNV-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdipeptidesglutamine and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesamino acid or derivativesamino acidfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminen-acyl-alpha-amino acidsecondary aminecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativealpha-oligopeptideorganic nitrogen compoundorganooxygen compoundamine |
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