DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:59 UTC
Update Date	2025-03-25 00:52:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02192098
Frequency	0.5
Structure
Chemical Formula	C₂₄H₄₇N₂O₄+
Molecular Mass	427.353
SMILES	CCCCCCC=CCCCCCCCC(O)C(=O)NC(CC(=O)O)C[N+](C)(C)C
InChI Key	UJDNMMVUCGMFFM-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 carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives monosaccharides n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide monosaccharide saccharide organic oxide organonitrogen compound organopnictogen compound hydroxy fatty acid organic cation organic salt alcohol tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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