DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:20 UTC
Update Date	2025-03-25 00:49:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02174634
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉NO₄
Molecular Mass	229.1314
SMILES	CCCCC(N=C(O)CC)C(=O)CC(=O)O
InChI Key	MQWOTMVIMNKQAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	keto acids and derivatives
Subclass	medium-chain keto acids and derivatives
Direct Parent	medium-chain keto acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino fatty acids beta-hydroxy ketones beta-keto acids and derivatives carboximidic acids carboxylic acids fatty acyls hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid organic 1,3-dipolar compound carboxylic acid derivative amino fatty acid beta-keto acid propargyl-type 1,3-dipolar organic compound ketone organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative organic nitrogen compound organooxygen compound medium-chain keto acid

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