DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:38 UTC
Update Date	2025-03-25 00:49:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177697
Frequency	0.5
Structure
Chemical Formula	C₈H₁₅N₃O₄
Molecular Mass	217.1063
SMILES	CNC(CC(N)=O)C(=O)NC(C)C(=O)O
InChI Key	KXZGVHWWXGLPJF-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 acid amides alpha amino acids amino acids asparagine and derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid secondary amine 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 organic nitrogen compound organooxygen compound amine

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