DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:54 UTC
Update Date	2025-03-25 00:51:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189696
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₆N₂O₄
Molecular Mass	228.111
SMILES	CC(C)NC(C(=O)O)C(=O)C1CCC(O)=N1
InChI Key	HYFCZIIUPJUMEI-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	alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds amino acids azacyclic compounds beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids cyclic carboximidic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrrolines
Substituents	beta-hydroxy ketone carbonyl group carboxylic acid amino 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 secondary aliphatic amine azacycle organic 1,3-dipolar compound secondary amine monocarboxylic acid or derivatives pyrroline organic oxygen compound keto acid hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound cyclic carboximidic acid organooxygen compound amine

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