DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:58 UTC
Update Date	2025-03-25 00:56:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219793
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₈N₃O₄+
Molecular Mass	290.2074
SMILES	C[N+](C)(C)CC(O)CC(=O)NC(CCCCN)C(=O)O
InChI Key	QBPKRBCWFFCQIR-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,2-aminoalcohols alpha amino acids amines amino fatty acids carbonyl compounds carboxylic acids cholines hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary alcohols secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic cation organic salt alcohol tetraalkylammonium salt n-acyl-alpha-amino acid 1,2-aminoalcohol quaternary ammonium salt carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound choline secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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