DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:38 UTC
Update Date	2025-03-25 00:51:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189100
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₂O₂
Molecular Mass	224.1525
SMILES	CC(C)CC1NC(=O)C2C(CCN2C)C1=O
InChI Key	WHBVPWZLKRXHBG-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	alpha amino acid amides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carboxylic acids and derivatives delta lactams hydrocarbon derivatives ketones n-alkylpyrrolidines organic oxides organopnictogen compounds piperidinediones secondary carboxylic acid amides trialkylamines
Substituents	carbonyl group lactam ketone aliphatic heteropolycyclic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound piperidinedione piperidinone pyrrolidine piperidine tertiary amine organoheterocyclic compound alpha-amino acid amide azacycle n-alkylpyrrolidine tertiary aliphatic amine carboxamide group delta-lactam secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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