DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:15 UTC
Update Date	2025-03-25 00:58:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02229316
Frequency	0.5
Structure
Chemical Formula	C₂₄H₄₉N₂O₂+
Molecular Mass	397.3789
SMILES	CCCCCCC=CCCCCCCCCCC(N)C(=O)OCC[N+](C)(C)C
InChI Key	DZQTZPGCAUCAIF-UHFFFAOYSA-N
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 acid esters
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl cholines alpha amino acids amines carbonyl compounds carboxylic acid esters fatty acid esters hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt tetraalkylammonium salt alpha-amino acid ester quaternary ammonium salt fatty acid ester monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester acyl choline hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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