| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:00 UTC |
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| Update Date | 2025-03-21 18:35:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105438 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C14H25N3O7 |
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| Molecular Mass | 347.1692 |
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| SMILES | CC(C)C(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)C(C)O |
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| InChI Key | XNMXTRLXEYUWOB-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 | alpha amino acid amidesalpha amino acidsbeta hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidglutamine or derivativesfatty amidefatty acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativeshydroxy acidcarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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