DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:34 UTC
Update Date	2025-03-21 18:37:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00114159
Frequency	23.1
Structure
Chemical Formula	C₁₃H₂₅N₂O₃+
Molecular Mass	257.186
SMILES	CC(C)CC(NC(=O)C1CCC[N+]1(C)C)C(=O)O
InChI Key	ZZADRWQUTVFAMZ-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 azacyclic compounds carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives organic oxide leucine or derivatives aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives methyl-branched fatty acid alpha-amino acid amide tetraalkylammonium salt azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine quaternary ammonium salt carboxamide group branched 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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