DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:19 UTC
Update Date	2025-03-25 00:52:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02195071
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₄NO₂+
Molecular Mass	202.1802
SMILES	CCCOC(=O)C(C(C)C)[N+](C)(C)C
InChI Key	KMPASXWWYKYQJZ-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	alpha amino acids amines carbonyl compounds carboxylic acid esters fatty acid esters hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group tetraalkylammonium salt alpha-amino acid ester quaternary ammonium salt valine or derivatives fatty acid ester organic oxide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt amine organooxygen compound

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