DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:48 UTC
Update Date	2025-03-25 00:58:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230548
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₉N₂O₂+
Molecular Mass	199.1441
SMILES	CN1CC[N+]2(CCCC2C(=O)O)CC1
InChI Key	DVWVELZCNOCRSH-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	alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines n-methylpiperazines organic cations organic oxides organic salts organopnictogen compounds pyrrolidine carboxylic acids tetraalkylammonium salts trialkylamines
Substituents	carbonyl group carboxylic acid amino acid organic oxide piperazine pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt pyrrolidine tertiary amine organoheterocyclic compound tetraalkylammonium salt azacycle n-alkylpyrrolidine quaternary ammonium salt n-alkylpiperazine tertiary aliphatic amine n-methylpiperazine monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound 1,4-diazinane hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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