DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:39:06 UTC
Update Date	2025-03-21 17:58:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00013414
Frequency	333.5
Structure
Chemical Formula	C₈H₁₁NO₅
Molecular Mass	201.0637
SMILES	NC(C(=O)O)C(=O)C=CCCC(=O)O
InChI Key	BOGRSRYXZPILTM-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 dicarboxylic acids and derivatives enones fatty acyls hydrocarbon derivatives medium-chain keto acids and derivatives monoalkylamines 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 organic oxygen compound keto acid dicarboxylic acid or derivatives hydrocarbon derivative acryloyl-group primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound medium-chain keto acid

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