DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:46 UTC
Update Date	2025-03-25 00:51:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187098
Frequency	0.5
Structure
Chemical Formula	C₈H₁₅N₂O₄+
Molecular Mass	203.1026
SMILES	CC(C(=O)NC(=O)C(=O)O)[N+](C)(C)C
InChI Key	KUGJTQAAKQZREL-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	alanine and derivatives alpha amino acids amines carbonyl compounds carboxylic acids dicarboximides hydrocarbon derivatives monocarboxylic acids and derivatives n-unsubstituted carboxylic acid imides organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organic cation organic salt tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxylic acid imide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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