DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:08:45 UTC
Update Date	2025-03-24 16:41:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00935443
Frequency	1.5
Structure
Chemical Formula	C₆H₁₁NO₃
Molecular Mass	145.0739
SMILES	CNCC(=O)C(C)C(=O)O
InChI Key	VQEXCZTYNUTUKK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	keto acids and derivatives
Subclass	short-chain keto acids and derivatives
Direct Parent	short-chain keto acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds amino acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids dialkylamines fatty acyls hydrocarbon derivatives methyl-branched fatty acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid short-chain keto acid carboxylic acid derivative beta-keto acid ketone organic oxide organonitrogen compound organopnictogen compound secondary aliphatic amine methyl-branched fatty acid secondary amine branched fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound amine

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