DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:01 UTC
Update Date	2025-03-25 00:48:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167127
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉N₂O₅+
Molecular Mass	259.1288
SMILES	CC(C(=O)N1C(=O)C(O)CC1C(=O)O)[N+](C)(C)C
InChI Key	HCTBFLSYTCDJLF-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amines azacyclic compounds carbonyl compounds carboxylic acids dicarboximides hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-substituted carboxylic acid imides organic cations organic oxides organic salts organopnictogen compounds oxoprolines proline and derivatives pyrrolidine carboxylic acids pyrrolidine-2-ones secondary alcohols tetraalkylammonium salts
Substituents	2-pyrrolidone carbonyl group carboxylic acid n-acylpyrrolidine alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organic cation organic salt pyrrolidine carboxylic acid imide, n-substituted pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol oxoproline tetraalkylammonium salt azacycle n-acyl-alpha-amino acid quaternary ammonium salt carboxylic acid imide alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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