DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:43 UTC
Update Date	2025-03-25 00:59:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234965
Frequency	0.5
Structure
Chemical Formula	C₇H₁₃NO₄
Molecular Mass	175.0845
SMILES	CNCC(=O)CC(O)CC(=O)O
InChI Key	BWUJCUYIJHJMOX-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 acids amino fatty acids beta hydroxy acids and derivatives beta-hydroxy ketones carboxylic acids dialkylamines hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds secondary alcohols
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid fatty acid carboxylic acid derivative medium-chain hydroxy acid ketone beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid alcohol secondary aliphatic amine secondary amine amino fatty acid monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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