DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:30 UTC
Update Date	2025-03-25 00:59:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234462
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₁N₂O₅+
Molecular Mass	249.1445
SMILES	C[N+](C)(C)CC(O)CC(=O)NC(CO)C(=O)O
InChI Key	UOEBOSHEAVFVRQ-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,2-aminoalcohols alpha amino acids amines beta hydroxy acids and derivatives 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 alcohols secondary carboxylic acid amides serine and derivatives tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt primary alcohol alcohol tetraalkylammonium salt n-acyl-alpha-amino acid 1,2-aminoalcohol quaternary ammonium salt hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound choline secondary alcohol hydrocarbon derivative organic nitrogen compound serine or derivatives amine organooxygen compound

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