DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:09 UTC
Update Date	2025-03-25 00:52:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194675
Frequency	0.5
Structure
Chemical Formula	C₂₈H₅₇N₂O₃+
Molecular Mass	469.4364
SMILES	CCCCCCCCCCCCCCCCCC(=O)NC(CCCC[N+](C)(C)C)CC(=O)O
InChI Key	KIHHZHSZORKMIA-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines amino fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives medium-chain fatty acids 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 organonitrogen compound organopnictogen compound medium-chain fatty acid organic cation organic salt tetraalkylammonium salt quaternary ammonium salt carboxamide group amino fatty acid n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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