DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:33 UTC
Update Date	2025-03-21 18:29:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00080336
Frequency	36.2
Structure
Chemical Formula	C₉H₁₆N₂O₄
Molecular Mass	216.111
SMILES	CN1CCCC1C(=O)NC(CO)C(=O)O
InChI Key	GSOWXMNXXPUAQV-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds 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 primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives trialkylamines
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid alpha-amino acid or derivatives beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine tertiary aliphatic amine hydroxy acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide serine or derivatives amine organooxygen compound

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