DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:56 UTC
Update Date	2025-03-21 18:28:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00073988
Frequency	40.2
Structure
Chemical Formula	C₁₀H₂₀NO₅+
Molecular Mass	234.1336
SMILES	C[N+](C)(C)CCOC(CCC(=O)O)C(=O)O
InChI Key	QDSGOUFPRUCRDU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	short-chain hydroxy acids and derivatives
Direct Parent	short-chain hydroxy acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines carbonyl compounds carboxylic acids dialkyl ethers dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group ether carboxylic acid short-chain hydroxy acid tetraalkylammonium salt quaternary ammonium salt fatty acid carboxylic acid derivative dialkyl ether organic oxide organic oxygen compound organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt amine organooxygen compound

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