DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:56 UTC
Update Date	2025-03-25 01:00:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02244600
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₆NO₂+
Molecular Mass	322.2741
SMILES	CCCCCC=CCC=CCC=CCCC(C(=O)O)[N+](C)(C)C
InChI Key	JSNTULOYARIDMN-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	alpha amino acids amines amino fatty acids carbonyl compounds carboxylic acids fatty acyls hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid tetraalkylammonium salt quaternary ammonium salt alpha-amino acid or derivatives carboxylic acid derivative amino fatty acid organic oxide monocarboxylic acid or derivatives organic oxygen compound alpha-amino acid organonitrogen compound organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt amine organooxygen compound

Showing information for DMID02244600