DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:24 UTC
Update Date	2025-03-21 18:34:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00099026
Frequency	27.7
Structure
Chemical Formula	C₁₂H₂₃N₂O₄+
Molecular Mass	259.1652
SMILES	C[N+]1(CCCCC(N)C(=O)O)CCCC1C(=O)O
InChI Key	GTWJSGZICJDPOD-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	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amines amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds pyrrolidine carboxylic acids tetraalkylammonium salts
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid fatty acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound medium-chain fatty acid organic cation organic salt pyrrolidine organoheterocyclic compound proline or derivatives tetraalkylammonium salt azacycle n-alkylpyrrolidine quaternary ammonium salt amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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