DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:08 UTC
Update Date	2025-03-25 00:57:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226909
Frequency	0.5
Structure
Chemical Formula	C₉H₁₄N₂O₄
Molecular Mass	214.0954
SMILES	CC(C)CC(N)C(=O)NC(=C=O)C(=O)O
InChI Key	ZMBOXLWQLMZJRR-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	peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides ynolates
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound ynolate hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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