DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:08 UTC
Update Date	2025-03-21 18:41:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136631
Frequency	18.3
Structure
Chemical Formula	C₈H₁₅N₂O₅+
Molecular Mass	219.0975
SMILES	C[N+](C)(C)C(C(=O)O)C(=O)NCC(=O)O
InChI Key	JEFCOGUBDYIARD-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	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids amines carboxylic acids dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid organic oxide alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound amine organooxygen compound

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