DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:24 UTC
Update Date	2025-03-21 18:06:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065479
Frequency	46.7
Structure
Chemical Formula	C₉H₁₉N₂O₃+
Molecular Mass	203.139
SMILES	CC(C(=O)NCCC(=O)O)[N+](C)(C)C
InChI Key	AWQRRPFRYIAZQC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	peptoid-peptide hybrids
Direct Parent	peptoid-peptide hybrids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids amines beta amino acids and derivatives carbonyl compounds carboxylic acids 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 alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt peptoid/peptide hybrid alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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