DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:09 UTC
Update Date	2025-03-25 00:55:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213301
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₃O₄
Molecular Mass	321.1689
SMILES	CN1CCCC1CNc1ccc(C(=O)NC(CO)C(=O)O)cc1
InChI Key	YHBGSSIAHOWEBX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	hippuric acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organopnictogen compounds phenylalkylamines primary alcohols secondary alkylarylamines secondary carboxylic acid amides serine and derivatives trialkylamines
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine hippuric acid or derivatives tertiary aliphatic amine hydroxy acid secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative organic nitrogen compound serine or derivatives amine organooxygen compound

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