DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:37 UTC
Update Date	2025-03-25 00:48:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168424
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₈NO₂+
Molecular Mass	230.2115
SMILES	CC(C)C(OC(=O)C(C)[N+](C)(C)C)C(C)C
InChI Key	BHZCOXZQYGEGDD-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	alanine and derivatives alpha amino acids amines carbonyl compounds carboxylic acid esters hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group tetraalkylammonium salt alpha-amino acid ester quaternary ammonium salt organic oxide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester organonitrogen compound alpha-amino acid organopnictogen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound organic cation organic salt amine organooxygen compound

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