DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:22 UTC
Update Date	2025-03-21 18:03:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00041803
Frequency	82.0
Structure
Chemical Formula	C₈H₁₅N₃O₄
Molecular Mass	217.1063
SMILES	CC(NC(=O)CCC(N)C(=O)O)C(N)=O
InChI Key	CAIGKWQSCGHPSJ-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	alanine and derivatives alpha amino acids carbonyl compounds carboxylic acids fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives 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 carboxylic acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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