DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:39 UTC
Update Date	2025-03-25 00:58:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02232474
Frequency	0.5
Structure
Chemical Formula	C₉H₁₃NO₄
Molecular Mass	199.0845
SMILES	CCCC(=O)C=CC(=O)C(N)C(=O)O
InChI Key	ZCCPTPFBTSLDDE-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 acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds acryloyl compounds amino fatty acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids enones fatty acyls hydrocarbon derivatives medium-chain keto acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds b'-hydroxy-alpha,beta-unsaturated ketones
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid b'-hydroxy-alpha,beta-unsaturated-ketone alpha,beta-unsaturated ketone beta-keto acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound enone amino fatty acid monocarboxylic acid or derivatives organic oxygen compound keto acid hydrocarbon derivative acryloyl-group primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound medium-chain keto acid

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