DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:27 UTC
Update Date	2025-03-21 18:34:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00099167
Frequency	27.7
Structure
Chemical Formula	C₁₁H₂₄NO₃+
Molecular Mass	218.1751
SMILES	C[N+](C)(C)C(O)CCCCCCC(=O)O
InChI Key	RJSYEAYCQXEZGL-UHFFFAOYSA-O
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 fatty acids carbonyl compounds carboxylic acids hemiaminals hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds straight chain fatty acids tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty acid carboxylic acid derivative medium-chain hydroxy acid hemiaminal organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic cation organic salt alkanolamine straight chain fatty acid tetraalkylammonium salt amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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