DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:24 UTC
Update Date	2025-03-21 18:00:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00025245
Frequency	153.0
Structure
Chemical Formula	C₁₁H₁₇NO₅
Molecular Mass	243.1107
SMILES	CCCCC=CC(=O)C(NCC(=O)O)C(=O)O
InChI Key	KWDDZEZVKLQSTF-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 acids amino fatty acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids dialkylamines dicarboxylic acids and derivatives enones fatty acyls hydrocarbon derivatives medium-chain keto acids and derivatives organic oxides organopnictogen compounds b'-hydroxy-alpha,beta-unsaturated ketones
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid amino 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 secondary aliphatic amine secondary amine amino fatty acid organic oxygen compound keto acid dicarboxylic acid or derivatives hydrocarbon derivative acryloyl-group organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound amine medium-chain keto acid

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