DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:22 UTC
Update Date	2025-03-25 00:59:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236412
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₆NO₆+
Molecular Mass	386.2537
SMILES	C[N+](C)(C)C(CCC(=O)O)OC(=C=O)CCCCCCCCCCC(=O)O
InChI Key	ZRSAORCEOKHXGF-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	long-chain fatty acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acyls hydrocarbon derivatives hydroxy fatty acids organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds tetraalkylammonium salts ynolates
Substituents	aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid tetraalkylammonium salt carboxylic acid derivative amino fatty acid organic oxide organic oxygen compound ynolate organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative hydroxy fatty acid organic nitrogen compound organic cation organic salt organooxygen compound

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