DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:18 UTC
Update Date	2025-03-21 18:34:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00101231
Frequency	27.0
Structure
Chemical Formula	C₉H₁₈NO₃+
Molecular Mass	188.1281
SMILES	C[N+](C)(C)CCCC(=O)CC(=O)O
InChI Key	JGWQVMGGTSYHLK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	keto acids and derivatives
Subclass	medium-chain keto acids and derivatives
Direct Parent	medium-chain keto acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines amino fatty acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids fatty acyls gamma-amino ketones hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid carboxylic acid derivative beta-keto acid ketone organic oxide organonitrogen compound organopnictogen compound organic cation organic salt gamma-aminoketone tetraalkylammonium salt quaternary ammonium salt amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound medium-chain keto acid

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