DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:12 UTC
Update Date	2025-03-21 18:32:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00093701
Frequency	29.7
Structure
Chemical Formula	C₁₄H₁₉N₃O₃
Molecular Mass	277.1426
SMILES	CN1CCN(c2ccc(C(=O)NCC(=O)O)cc2)CC1
InChI Key	ASROROOQMPVEAG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids aminobenzamides aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-arylpiperazines n-methylpiperazines organic oxides organopnictogen compounds phenylpiperazines secondary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl benzamide organic oxide piperazine tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound azacycle hippuric acid or derivatives aniline or substituted anilines n-alkylpiperazine tertiary aliphatic amine n-methylpiperazine benzoic acid or derivatives carboxamide group aminobenzamide n-acylglycine phenylpiperazine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound 1,4-diazinane hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound

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