| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:39 UTC |
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| Update Date | 2025-03-21 18:35:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104574 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C10H18N2O5 |
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| Molecular Mass | 246.1216 |
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| SMILES | CC(C)CC(NC(=O)CNCC(=O)O)C(=O)O |
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| InChI Key | KEJDHBKKGJKKSO-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 acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesleucine and derivativesmethyl-branched fatty acidsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativesorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminemethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidsecondary aminecarboxamide groupbranched fatty acidn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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