DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:16 UTC
Update Date	2025-03-21 18:05:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058047
Frequency	54.5
Structure
Chemical Formula	C₁₃H₂₃N₃O₄
Molecular Mass	285.1689
SMILES	CC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O
InChI Key	NKWWCEPMCADRAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acid amides alpha amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid pyrrolidine organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group amino fatty acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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