DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:00 UTC
Update Date	2025-03-25 00:56:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219876
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₆N₃O₄+
Molecular Mass	288.1918
SMILES	C[N+]1(C)CC(O)CC1C(=O)NC(CCCCN)C(=O)O
InChI Key	XKKDUEYLPAKBEE-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	1,2-aminoalcohols alpha amino acid amides alpha amino acids amines amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic cation organic salt pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide tetraalkylammonium salt azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine 1,2-aminoalcohol 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 secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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