DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:34 UTC
Update Date	2025-03-21 17:57:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00007444
Frequency	678.3
Structure
Chemical Formula	C₆H₁₀O₄
Molecular Mass	146.0579
SMILES	CC(=O)CC(O)CC(=O)O
InChI Key	APWDZEIBFNZVND-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	beta hydroxy acids and derivatives beta-hydroxy ketones carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic oxides secondary alcohols
Substituents	alcohol fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid fatty acid carboxylic acid derivative medium-chain hydroxy acid ketone beta-hydroxy acid organic oxide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organooxygen compound

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