DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:27 UTC
Update Date	2025-03-21 18:33:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00096708
Frequency	28.6
Structure
Chemical Formula	C₆H₁₁NO₃
Molecular Mass	145.0739
SMILES	CN(C)CC(=O)CC(=O)O
InChI Key	PWDKEPQWJKAXHY-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	alpha-amino ketones amino acids amino fatty acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids fatty acyls hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds trialkylamines
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 alpha-aminoketone organonitrogen compound organopnictogen compound tertiary amine tertiary aliphatic amine amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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