DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:36 UTC
Update Date	2025-03-21 18:34:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00099524
Frequency	27.6
Structure
Chemical Formula	C₈H₁₇N₃O₃
Molecular Mass	203.127
SMILES	CC(C)C(N)C(=O)NC(CO)C(N)=O
InChI Key	GCPBXBKOBZRPIU-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 carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary alcohols primary carboxylic acid amides secondary carboxylic acid amides serine and derivatives valine and derivatives
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 primary alcohol n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives 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 serine or derivatives organooxygen compound

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