DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:07 UTC
Update Date	2025-03-25 00:45:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149042
Frequency	0.5
Structure
Chemical Formula	C₂₅H₅₃N₂O₃+
Molecular Mass	429.4051
SMILES	CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C[N+](C)(C)C
InChI Key	HMAARRGLGDGLOE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic nitrogen compounds
Class	organonitrogen compounds
Subclass	quaternary ammonium salts
Direct Parent	cholines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,2-aminoalcohols amines carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group fatty amide carboxylic acid derivative organic oxide organopnictogen compound organic cation organic salt primary alcohol alcohol tetraalkylammonium salt 1,2-aminoalcohol carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound choline secondary alcohol hydrocarbon derivative amine organooxygen compound

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