DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:59 UTC
Update Date	2025-03-21 18:01:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00031310
Frequency	117.7
Structure
Chemical Formula	C₆H₁₂N₂O
Molecular Mass	128.095
SMILES	CN1CCCC1C(N)=O
InChI Key	IGERQMDMYFFQLC-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	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds primary carboxylic acid amides pyrrolidinecarboxamides trialkylamines
Substituents	primary carboxylic acid amide carbonyl group organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives alpha-amino acid amide azacycle n-alkylpyrrolidine tertiary aliphatic amine carboxamide group pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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