DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:19 UTC
Update Date	2025-03-25 00:48:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167757
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₃O₄
Molecular Mass	273.1689
SMILES	CC(C)NC(C(=O)NC(CC(N)=O)C(=O)O)C(C)C
InChI Key	POHSJBVIITYOPK-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 amino acids asparagine and derivatives branched fatty acids 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 valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide fatty acid 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 valine or derivatives secondary amine carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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