DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:05 UTC
Update Date	2025-03-25 00:52:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02196784
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃NO₃
Molecular Mass	265.1678
SMILES	CCC=CCC=CC=CC(=O)C(N)CCCC(=O)O
InChI Key	BIRZOCYCUZDXMV-UHFFFAOYSA-N
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	acryloyl compounds amino fatty acids carboxylic acids delta amino acids and derivatives enones fatty acyls hydrocarbon derivatives ketones monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds
Substituents	aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid alpha,beta-unsaturated ketone carboxylic acid derivative amino fatty acid ketone organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound delta amino acid or derivatives hydrocarbon derivative acryloyl-group primary aliphatic amine organic nitrogen compound organooxygen compound enone

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