DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:52 UTC
Update Date	2025-03-21 17:57:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00005844
Frequency	1068.7
Structure
Chemical Formula	C₇H₁₅N₂O₃+
Molecular Mass	175.1077
SMILES	C[N+](C)(C)CC(=O)NCC(=O)O
InChI Key	BBYLYZVZFQMHDF-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 carbonyl compounds carboxylic acids dipeptides hydrocarbon derivatives monocarboxylic acids and 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 organonitrogen compound alpha-amino acid 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 monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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