DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:18 UTC
Update Date	2025-03-25 01:01:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250086
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₆N₃O₄+
Molecular Mass	300.1918
SMILES	C[N+](C)(C)CCCCC(NC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	PMYVOFKOPAKLEQ-UHFFFAOYSA-O
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 amines amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives lactams medium-chain fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic cation organic salt pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide tetraalkylammonium salt azacycle n-acyl-alpha-amino acid quaternary ammonium salt 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 organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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