DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:09 UTC
Update Date	2025-03-21 18:05:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057767
Frequency	54.9
Structure
Chemical Formula	C₂₅H₄₉N₂O₃+
Molecular Mass	425.3738
SMILES	CCCCCCC=CCCCCCCCC(=O)NC(CCCC[N+](C)(C)C)C(=O)O
InChI Key	YXCWEURYQMTSFS-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	alpha amino acids 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 organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic cation organic salt tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group amino fatty acid 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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