DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:21 UTC
Update Date	2025-03-21 18:04:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00051288
Frequency	63.7
Structure
Chemical Formula	C₉H₁₇N₂O₅+
Molecular Mass	233.1132
SMILES	C[N+](C)(C)C(CC(=O)O)C(=O)NCC(=O)O
InChI Key	MGSDYEWCEVFSSJ-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	alpha amino acid amides alpha amino acids amines aspartic acid and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides fatty acids and conjugates hydrocarbon derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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