DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:16 UTC
Update Date	2025-03-25 00:51:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188250
Frequency	0.5
Structure
Chemical Formula	C₇H₁₅NO₃
Molecular Mass	161.1052
SMILES	CC(O)(CCCN)CC(=O)O
InChI Key	NLYAJQCGHBFGSC-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 carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds tertiary alcohols
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid methyl-branched fatty acid fatty acid carboxylic acid derivative amino fatty acid branched fatty acid medium-chain hydroxy acid tertiary alcohol organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid primary aliphatic amine organic nitrogen compound organooxygen compound

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