DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:38 UTC
Update Date	2025-03-25 00:52:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02193547
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₉NO₅
Molecular Mass	257.1263
SMILES	CCCCCC(=CC(=O)O)C(=O)NCCC(=O)O
InChI Key	GMLNXQNEEWNDLR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	beta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino fatty acids branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides unsaturated fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid carboxamide group amino fatty acid branched fatty acid n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide unsaturated fatty acid organic oxide organic oxygen compound organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative medium-chain fatty acid organic nitrogen compound organooxygen compound

Showing information for DMID02193547