DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:52 UTC
Update Date	2025-03-25 00:50:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180497
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₁N₂O₄+
Molecular Mass	233.1496
SMILES	C[N+](C)(C)C(CO)CCC(=O)NCC(=O)O
InChI Key	YDPANHYNEMHYRX-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,2-aminoalcohols alpha amino acids amines carbonyl compounds carboxylic acids cholines hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds primary alcohols secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt primary alcohol alcohol tetraalkylammonium salt 1,2-aminoalcohol quaternary ammonium salt carboxamide group n-acyl-amine n-acylglycine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound choline hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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