DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:14 UTC
Update Date	2025-03-25 00:48:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169825
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₄O₃
Molecular Mass	272.1848
SMILES	CCNC(=O)C(NC(=O)C(N)CC(N)=O)C(C)CC
InChI Key	JXZPSAJMFQRVRU-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 acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives isoleucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives isoleucine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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