DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:40 UTC
Update Date	2025-03-21 17:58:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00012416
Frequency	365.8
Structure
Chemical Formula	C₆H₁₃NO₃
Molecular Mass	147.0895
SMILES	NCCCC(O)CC(=O)O
InChI Key	QAMKYKJQNLRRAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino fatty acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty acid carboxylic acid derivative amino fatty acid medium-chain hydroxy acid beta-hydroxy acid organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound secondary alcohol organopnictogen compound hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid primary aliphatic amine organic nitrogen compound organooxygen compound

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