DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:19 UTC
Update Date	2025-03-25 00:48:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170029
Frequency	0.5
Structure
Chemical Formula	C₂₄H₄₉N₂O₃+
Molecular Mass	413.3738
SMILES	CCCCCCCCCCCCCCCC(=O)NCCCC(C(=O)O)[N+](C)(C)C
InChI Key	VKGGYMUUTQSECK-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	alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid organic oxide alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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