DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:45 UTC
Update Date	2025-03-25 00:48:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168726
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₅N₃O₅
Molecular Mass	327.1794
SMILES	CC(C)C(=O)N1C(=O)CCC1C(=O)NC(CCCCN)C(=O)O
InChI Key	KVNSIXSGJXHVDC-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	alpha amino acid amides alpha amino acids amino fatty acids azacyclic compounds branched fatty acids carbonyl compounds carboxylic acids dicarboximides heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-substituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl 2-pyrrolidone carbonyl group carboxylic acid heterocyclic fatty acid n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid dicarboximide pyrrolidine carboxylic acid imide, n-substituted pyrrolidone organoheterocyclic compound 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 branched fatty acid carboxylic acid imide 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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