DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:54 UTC
Update Date	2025-03-25 00:50:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180562
Frequency	0.5
Structure
Chemical Formula	C₂₁H₄₁N₂O₅+
Molecular Mass	401.301
SMILES	C[N+](C)(C)CC(CC(=O)O)NC(=O)CCCCCCCCCCCCC(=O)O
InChI Key	METIUGYAZBYBFL-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	long-chain fatty acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines amino fatty acids beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid fatty amide carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound 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 organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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