DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:58 UTC
Update Date	2025-03-21 18:06:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00062142
Frequency	50.0
Structure
Chemical Formula	C₉H₁₂N₂O₅
Molecular Mass	228.0746
SMILES	CC(=O)NC(C(=O)O)C(=O)C1CCC(O)=N1
InChI Key	HNCFXPYASUWLML-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds acetamides alpha amino acids azacyclic compounds beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids cyclic carboximidic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrrolines secondary carboxylic acid amides
Substituents	beta-hydroxy ketone carbonyl group carboxylic acid beta-keto acid propargyl-type 1,3-dipolar organic compound ketone organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound acetamide azacycle n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrroline organic oxygen compound keto acid hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound cyclic carboximidic acid organooxygen compound

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