DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:28 UTC
Update Date	2025-03-21 17:59:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00023048
Frequency	171.2
Structure
Chemical Formula	C₆H₁₀O₄
Molecular Mass	146.0579
SMILES	CC(O)C(=O)C(C)C(=O)O
InChI Key	PMLWPUZXLZLUIP-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	1,3-dicarbonyl compounds acyloins alpha-hydroxy ketones beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids fatty acyls hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monocarboxylic acids and derivatives organic oxides secondary alcohols
Substituents	alcohol fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid methyl-branched fatty acid short-chain keto acid alpha-hydroxy ketone carboxylic acid derivative branched fatty acid beta-keto acid ketone organic oxide monocarboxylic acid or derivatives organic oxygen compound acyloin secondary alcohol hydrocarbon derivative hydroxy fatty acid 1,3-dicarbonyl compound organooxygen compound

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