DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:30 UTC
Update Date	2025-03-25 00:53:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202393
Frequency	0.5
Structure
Chemical Formula	C₂₁H₄₄N₂O₅+₂
Molecular Mass	404.3239
SMILES	C[N+](C)(C)C(CCCCCCCCCC(=O)O)OC(CCC(=O)O)[N+](C)(C)C
InChI Key	IGNUEUXCUWQJME-UHFFFAOYSA-P
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 dicarboxylic acids and derivatives hemiaminals hydrocarbon derivatives medium-chain fatty acids organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid tetraalkylammonium salt fatty acid carboxylic acid derivative amino fatty acid medium-chain hydroxy acid hemiaminal organic oxide organic oxygen compound organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative medium-chain fatty acid organic nitrogen compound organic cation organic salt organooxygen compound

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