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	DMID02180565
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₈NO₄+
Molecular Mass	274.2013
SMILES	C[N+](C)(C)CC(=O)OCCCCCCCCC(=O)O
InChI Key	GYLBQXQHDSVDJK-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	alpha amino acid esters
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amines amino fatty acids carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids medium-chain hydroxy acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic cation organic salt tetraalkylammonium salt alpha-amino acid ester quaternary ammonium salt amino fatty acid organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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