DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:52 UTC
Update Date	2025-03-25 00:55:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02214888
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₇N₃O₅
Molecular Mass	341.1951
SMILES	CCC(C)C(N)C(=O)N1C(=O)CCC1C(=O)NC(C(=O)O)C(C)C
InChI Key	GYHOUJCJLREAHY-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	oligopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboximides heterocyclic fatty acids hydrocarbon derivatives isoleucine and derivatives methyl-branched 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 valine and derivatives
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 dicarboximide pyrrolidine carboxylic acid imide, n-substituted pyrrolidone isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid carboxylic acid imide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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